Sugi Predict

Sugi Predict / Compounds / Cellobiose

Cellobiose

Cellobiose

SCHEMBL1546728

CCCCCCCCCCCCCCCCCC(=O)O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O.[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2]

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Cellobiose. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GJB2 P29033 1/20 0.50
▸ IGF2R P11717 1/20 0.50
▸ LGALS8 O00214 2/20 0.49
▸ LGALS3 P17931 2/20 0.49
▸ LGALS4 P56470 2/20 0.49
▸ SELL P14151 3/20 0.46
▸ SELP P16109 3/20 0.46
▸ SELE P16581 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PTPN1 P18031 1/20 0.45
▸ TLR4 O00206 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Maltotriose SCHEMBL17459229 0.99 IGF2R (0.51) GJB2IGF2RLGALS8LGALS3LGALS4
Cellobiose SCHEMBL5358771 0.99 IGF2R (0.51) GJB2IGF2RLGALS8LGALS3LGALS4
Cellobiose SCHEMBL22034126 0.99 IGF2R (0.51) GJB2IGF2RLGALS8LGALS3LGALS4
Cellobiose SCHEMBL5354201 0.99 IGF2R (0.51) GJB2IGF2RLGALS8LGALS3LGALS4
Cellobiose SCHEMBL22034051 0.99 IGF2R (0.51) GJB2IGF2RLGALS8LGALS3LGALS4
Cellobiose SCHEMBL7118280 0.99 IGF2R (0.51) GJB2IGF2RLGALS8LGALS3LGALS4
Behenic Acid SCHEMBL5360183 0.99 IGF2R (0.51) GJB2IGF2RLGALS8LGALS3LGALS4
Cellobiose SCHEMBL5360199 0.99 IGF2R (0.51) GJB2IGF2RLGALS8LGALS3LGALS4
Cellobiose SCHEMBL6000113 0.98 GJB2 (0.50) GJB2IGF2RLGALS8LGALS3LGALS4
Cellobiose SCHEMBL6811991 0.93 IGF2R (0.56) GJB2IGF2RLGALS8LGALS3LGALS4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170216203-A1 DRY POWDER INHALER FORMULATIONS COMPRISING SURFACE-MODIFIED PARTICLES WITH ANTI-ADHERENT ADDITIVES VECTURA LTD (GB) 2017-08-03 — — US disclosed
US-9642800-B2 Dry powder inhaler formulations comprising surface-modified particles with anti-adherent additives VECTURA LIMITED (GB) 2017-05-09 — — US disclosed
US-9585834-B2 Dry powder inhaler formulations comprising surface-modified particles with anti-adherent additives VECTURA LIMITED (GB) 2017-03-07 — — US disclosed
EP-2949317-B1 DRY POWDER INHALER FORMULATIONS COMPRISING SURFACE-MODIFIED PARTICLES WITH ANTI-ADHERENT ADDITIVES VECTURA LTD (GB) 2017-01-04 — — EP disclosed
US-20160000709-A1 DRY POWDER INHALER FORMULATIONS COMPRISING SURFACE-MODIFIED PARTICLES WITH ANTI-ADHERENT ADDITIVES VECTURA LTD (GB) 2016-01-07 — — US disclosed
EP-2949317-A1 DRY POWDER INHALER FORMULATIONS COMPRISING SURFACE-MODIFIED PARTICLES WITH ANTI-ADHERENT ADDITIVES Vectura Limited (GB) 2015-12-02 — — EP disclosed
EP-2311434-B1 Dry powder inhaler formulations comprising surface-modified particles with anti-adherent additives VECTURA LTD (GB) 2015-07-08 — — EP disclosed
EP-2174653-B1 Dry powder inhaler formulations comprising surface-modified particles with anti-adherent additives VECTURA LTD (GB) 2014-05-14 — — EP disclosed
US-20110236492-A1 DRY POWDER INHALER FORMULATIONS COMPRISING SURFACE-MODIFIED PARTICLES WITH ANTI-ADHERENT ADDITIVES VECTURA LIMITED (GB) 2011-09-29 — — US disclosed
EP-2311434-A1 Dry powder inhaler formulations comprising surface-modified particles with anti-adherent additives Vectura Limited (GB) 2011-04-20 — — EP disclosed
EP-2174653-A1 Dry powder inhaler formulations comprising surface-modified particles with anti-adherent additives Vectura Limited (GB) 2010-04-14 — — EP disclosed
EP-1814521-B1 DRY POWDER INHALER FORMULATIONS COMPRISING SURFACE-MODIFIED PARTICLES WITH ANTI- ADHERENT ADDITIVES VECTURA LTD (GB) 2010-01-27 — — EP disclosed
US-20080220078-A1 Pharmaceutical Formulations VECTURA LIMITED (GB) 2008-09-11 — — US disclosed
US-20080127972-A1 Dry Powder Inhaler Formulations Comprising Surface-Modified Particles With Anti-Adherent Additives VECTURA LIMITED (GB) 2008-06-05 — — US disclosed
EP-1817015-A2 PHARMACEUTICAL FORMULATIONS Vectura Limited (GB) 2007-08-15 — — EP disclosed
EP-1814521-A1 DRY POWDER INHALER FORMULATIONS COMPRISING SURFACE-MODIFIED PARTICLES WITH ANTI- ADHERENT ADDITIVES Vectura Limited (GB) 2007-08-08 — — EP disclosed
WO-2006059152-A2 PHARMACEUTICAL FORMULATIONS VECTURA LIMITED (GB) 2006-06-08 — — WO disclosed
WO-2006056812-A1 DRY POWDER INHALER FORMULATIONS COMPRISING SURFACE-MODIFIED PARTICLES WITH ANTI- ADHERENT ADDITIVES VECTURA LIMITED (GB) 2006-06-01 — — WO disclosed