SCHEMBL8630331

SCHEMBL8630331

CCS[C@@H]1O[C@H](COCc2ccc(OC)cc2)[C@H](O)[C@H](OCc2ccc(OC)cc2)[C@H]1OCc1ccc(OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GJB2 P29033 2/20 0.45
GJA1 P17302 2/20 0.45
SSTR4 P31391 5/20 0.43
SSTR5 P35346 2/20 0.41
SSTR1 P30872 1/20 0.41
SSTR2 P30874 1/20 0.41
SSTR3 P32745 1/20 0.41
SLC5A1 P13866 1/20 0.36
SLC5A2 P31639 1/20 0.36
LGALS9 O00182 1/20 0.36
LGALS8 O00214 1/20 0.36
LGALS1 P09382 1/20 0.36
LGALS3 P17931 1/20 0.36
TACR2 P21452 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
HPGD P15428 1/20 0.33
HOGA1 Q86XE5 1/20 0.33

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
SCHEMBL8907486 0.93 GJB2 (0.47) GJB2GJA1SSTR4SSTR5SSTR1
SCHEMBL8628196 0.90 GJB2 (0.43) GJB2GJA1SSTR4SSTR5SSTR1
SCHEMBL26443909 0.90 GJB2 (0.43) GJB2GJA1SSTR4SSTR5SSTR1
SCHEMBL8625287 0.89 SLC5A2 (0.47) SLC5A1SLC5A2LGALS9LGALS8LGALS1
SCHEMBL19276601 0.87 SSTR4 (0.49) GJB2SSTR4SSTR5SSTR1SSTR2
SCHEMBL19276600 0.87 SSTR4 (0.49) GJB2SSTR4SSTR5SSTR1SSTR2
SCHEMBL6767463 0.87 SSTR4 (0.49) GJB2SSTR4SSTR5SSTR1SSTR2
SCHEMBL8625319 0.86 GJB2 (0.41) GJB2GJA1SSTR4SSTR5SSTR1
SCHEMBL26443913 0.85 GJB2 (0.40) GJB2GJA1SSTR4SSTR5SSTR1
SCHEMBL6952281 0.84 SSTR4 (0.47) GJB2SSTR4SSTR5SSTR1SSTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5747463-A SELECTIN ANTAGONISTS; ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-05-05 US disclosed