Cellobiose

Cellobiose

SCHEMBL16460079

O=P([O-])([O-])[O-].O=P([O-])([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.[Ca+2].[Ca+2].[Ca+2]

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA1AADRA1BADRA1DADRB1ADRB2ADRB3CYP11B1DPP4FGFR1FGFR2FGFR3FGFR4HRH1JAK1JAK2JAK3KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITNAOPRD1OPRK1OPRM1PPDGFRBPIK3CDSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASMOTYK2polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
▸ LGALS8 O00214 3/20 0.55
▸ LGALS3 P17931 3/20 0.55
▸ LGALS4 P56470 3/20 0.55
▸ IGF2R P11717 2/20 0.49
▸ AMY2A P04746 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CA1 P00915 6/20 0.45
▸ CA2 P00918 6/20 0.45
▸ CA9 Q16790 6/20 0.45
▸ CA12 O43570 5/20 0.45
▸ CA14 Q9ULX7 2/20 0.44
▸ TYR P14679 2/20 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
Cellobiose SCHEMBL2787564 1.00 LGALS8 (0.55) LGALS8LGALS3LGALS4IGF2RAMY2A
Cellobiose SCHEMBL5310426 0.97 LGALS8 (0.55) LGALS8LGALS3LGALS4IGF2RAMY2A
Cellobiose SCHEMBL11230654 0.93 LGALS8 (0.49) LGALS8LGALS3LGALS4IGF2RAMY2A
Cellobiose SCHEMBL22636942 0.92 LGALS8 (0.49) LGALS8LGALS3LGALS4IGF2RAMY2A
Cellobiose SCHEMBL11512625 0.91 LGALS8 (0.54) LGALS8LGALS3LGALS4IGF2RAMY2A
Maltose SCHEMBL8343753 0.91 LGALS8 (0.54) LGALS8LGALS3LGALS4IGF2RAMY2A
Maltose SCHEMBL8994870 0.90 LGALS8 (0.53) LGALS8LGALS3LGALS4IGF2RAMY2A
Cellobiose SCHEMBL18229206 0.90 LGALS8 (0.58) LGALS8LGALS3LGALS4IGF2RAMY2A
Cellobiose SCHEMBL18229209 0.90 LGALS8 (0.58) LGALS8LGALS3LGALS4IGF2RAMY2A
Cellobiose SCHEMBL23708014 0.89 LGALS8 (0.61) LGALS8LGALS3LGALS4IGF2RAMY2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9475759-B2 Tigecycline crystalline hydrate and preparation method therefor and use thereof HU LIFANG (CN) 2016-10-25 — — US disclosed
US-20140107357-A1 TIGECYCLINE CRYSTALLINE HYDRATE AND PREPARATION METHOD THEREFOR AND USE THEREOF HU LIFANG (CN) 2014-04-17 — — US disclosed
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