SCHEMBL8907486

SCHEMBL8907486

CCS[C@@H]1O[C@H](COCc2ccc(OC)cc2)[C@H](O)[C@H](O)[C@H]1OCc1ccc(OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GJB2 P29033 4/20 0.47
GJA1 P17302 4/20 0.47
SSTR4 P31391 5/20 0.41
SSTR1 P30872 1/20 0.39
SSTR2 P30874 1/20 0.39
SSTR3 P32745 1/20 0.39
SSTR5 P35346 1/20 0.39
SLC5A1 P13866 1/20 0.39
SLC5A2 P31639 1/20 0.39
HOGA1 Q86XE5 1/20 0.35
TACR2 P21452 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL8630331 0.93 GJB2 (0.45) GJB2GJA1SSTR4SSTR1SSTR2
SCHEMBL8626763 0.89 SLC5A2 (0.49) SLC5A1SLC5A2NPC1RAB9A
SCHEMBL26443909 0.87 GJB2 (0.43) GJB2GJA1SSTR4SSTR1SSTR2
SCHEMBL8628196 0.87 GJB2 (0.43) GJB2GJA1SSTR4SSTR1SSTR2
SCHEMBL26443913 0.85 GJB2 (0.40) GJB2GJA1SSTR4SSTR1SSTR2
SCHEMBL8002967 0.84 GJB2 (0.45) GJB2GJA1SSTR4SSTR1SSTR2
SCHEMBL8002977 0.84 GJB2 (0.45) GJB2GJA1SSTR4SSTR1SSTR2
SCHEMBL8625319 0.84 GJB2 (0.41) GJB2GJA1SSTR4SSTR1SSTR2
SCHEMBL8625287 0.82 SLC5A2 (0.47) SLC5A1SLC5A2NPC1RAB9A
SCHEMBL8907208 0.81 GJB2 (0.37) GJB2GJA1SSTR4SSTR1SSTR2

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-5686426-A Dicarboxymethylated glycolipid derivatives as cell adhesion inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1997-11-11 US disclosed
EP-0719787-A1 Dicarboxymethylated glycolipid derivatives as cell adhesion inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1996-07-03 EP disclosed