Cellobiose

Cellobiose

SCHEMBL18229206

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].[Cl-].[Cl-]

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 known ✓ P23219 1/20 0.46
▸ LGALS8 O00214 1/20 0.58
▸ LGALS3 P17931 1/20 0.58
▸ LGALS4 P56470 1/20 0.58
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ AMY2A P04746 3/20 0.52
▸ TYR P14679 2/20 0.48
▸ AMY1A P0DUB6 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ GJA1 P17302 1/20 0.47
▸ GJB2 P29033 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ IGF2R P11717 1/20 0.46
▸ GAA P10253 3/20 0.46
▸ MGAM O43451 2/20 0.46
▸ SI P14410 1/20 0.46
▸ CNR1 P21554 1/20 0.46
▸ PDE4A P27815 1/20 0.46

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 SCHEMBL18229209 1.00 LGALS8 (0.58) LGALS8LGALS3LGALS4MEN1KMT2A
Cellobiose SCHEMBL18229204 0.98 LGALS8 (0.57) LGALS8LGALS3LGALS4MEN1KMT2A
Cellobiose SCHEMBL18229205 0.98 LGALS8 (0.57) LGALS8LGALS3LGALS4MEN1KMT2A
Maltotriose SCHEMBL28275648 0.97 LGALS8 (0.58) LGALS8LGALS3LGALS4MEN1KMT2A
Cellobiose SCHEMBL5701237 0.97 LGALS8 (0.58) LGALS8LGALS3LGALS4MEN1KMT2A
Maltotriose SCHEMBL24202675 0.97 LGALS8 (0.61) LGALS8LGALS3LGALS4MEN1KMT2A
Cellobiose SCHEMBL24662526 0.97 LGALS8 (0.61) LGALS8LGALS3LGALS4MEN1KMT2A
Cellobiose SCHEMBL23752618 0.97 LGALS8 (0.61) LGALS8LGALS3LGALS4MEN1KMT2A
Cellobiose SCHEMBL24202679 0.97 LGALS8 (0.61) LGALS8LGALS3LGALS4MEN1KMT2A
Cellobiose SCHEMBL21206262 0.97 LGALS8 (0.61) LGALS8LGALS3LGALS4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3294074-B1 FAST-DISSOLVING CO-CRYSTALLINE LACTOSE NESTLE SA (CH) 2020-04-22 — — EP disclosed
EP-3294074-A1 FAST-DISSOLVING CO-CRYSTALLINE LACTOSE Nestec S.A. (CH) 2018-03-21 — — EP disclosed
WO-2016180776-A1 FAST-DISSOLVING CO-CRYSTALLINE LACTOSE NESTEC S.A. (CH) 2016-11-17 — — WO disclosed
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