SCHEMBL6553208

SCHEMBL6553208

COc1ccc(O[C@@H]2O[C@H](CO)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2N2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 1/20 0.46
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ GRM5 P41594 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ RAB9A P51151 4/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ SLC5A1 P13866 1/20 0.38
▸ SLC5A2 P31639 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TACR2 P21452 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ LGALS8 O00214 1/20 0.36

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
SCHEMBL3628589 0.93 LGALS3 (0.51) LGALS3CYP3A4CYP2D6GRM5RAB9A
SCHEMBL3628586 0.93 LGALS3 (0.51) LGALS3CYP3A4CYP2D6GRM5RAB9A
SCHEMBL6553216 0.90 GRM5 (0.41) LGALS3GRM5BCHERAB9AKMT2A
SCHEMBL6553329 0.88 CYP3A4 (0.41) LGALS3CYP3A4CYP2D6ALDH1A1MAPT
SCHEMBL6553337 0.88 CYP3A4 (0.41) LGALS3CYP3A4CYP2D6ALDH1A1MAPT
SCHEMBL27001596 0.87 LGALS3 (0.46) LGALS3TACR2SLC6A2
SCHEMBL4178365 0.87 NT5E (0.41) LGALS3GRM5
SCHEMBL2312267 0.87 LGALS3 (0.50) LGALS3BCHECYP2C19TACR2SLC6A2
SCHEMBL3625228 0.85 LGALS3 (0.43) LGALS3GRM5RAB9ATACR2SLC6A2
SCHEMBL26506298 0.85 LGALS3 (0.43) LGALS3GRM5RAB9ATACR2SLC6A2

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-1018515-B1 Oligosaccharide, method for producing it and pharmaceutical composition containing it SEIKAGAKU KOGYO CO LTD (JP) 2004-02-18 — — EP disclosed
US-6562954-B1 Oligosaccharide for use as tool in human therapeutics SEIKAGAKU CORPORATION (JP) 2003-05-13 — — US disclosed
EP-1018515-A1 Oligosaccharide, method for producing it and pharmaceutical composition containing it SEIKAGAKU CORPORATION (JP) 2000-07-12 — — EP disclosed
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