SCHEMBL14732137

SCHEMBL14732137

Cc1cc(-c2ccc(Oc3ccccc3)cc2)c(F)cc1CN(Cc1ccc(C(=O)O)cc1)[SH](=O)=O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 16/20 0.44
LPAR5 Q9H1C0 16/20 0.44
SRD5A2 P31213 1/20 0.44
PTGES O14684 2/20 0.43
ALOX5 P09917 1/20 0.43
FFAR4 Q5NUL3 1/20 0.41

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
SCHEMBL14732192 0.82 SRD5A2 (0.60) LPAR1LPAR5SRD5A2PTGESALOX5
SCHEMBL3378390 0.78 FFAR4 (0.43) SRD5A2PTGESALOX5FFAR4
SCHEMBL14732164 0.78 LPAR1 (0.49) LPAR1LPAR5
SCHEMBL3379807 0.73 PTGES (0.52) LPAR1LPAR5SRD5A2PTGESALOX5
SCHEMBL14732180 0.69 NR3C1 (0.50) SRD5A2
SCHEMBL3376339 0.69 PTGES (0.58) LPAR1LPAR5SRD5A2PTGESALOX5
SCHEMBL14732190 0.68 S1PR1 (0.41) LPAR1LPAR5SRD5A2PTGES
SCHEMBL8999835 0.65 SRD5A2 (0.78) SRD5A2
SCHEMBL7373530 0.64 LMNA (0.43)
SCHEMBL2710776 0.64 SRD5A2 (0.65) SRD5A2

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-8389500-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2013-03-05 US claimed