SCHEMBL14732164

SCHEMBL14732164

Cc1cc(CN(Cc2ccc(C(=O)O)cc2)[SH](=O)=O)ccc1-c1ccc(Oc2ccccc2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 17/20 0.49
LPAR5 Q9H1C0 17/20 0.49
FEN1 P39748 1/20 0.43

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
SCHEMBL3376266 0.80 FEN1 (0.42) LPAR1LPAR5FEN1
SCHEMBL14732137 0.78 LPAR1 (0.44) LPAR1LPAR5
SCHEMBL14732192 0.77 SRD5A2 (0.60) LPAR1LPAR5
SCHEMBL3130872 0.69 TTR (0.68) LPAR1LPAR5
SCHEMBL5156190 0.69 LMNA (0.68)
SCHEMBL3376339 0.68 PTGES (0.58) LPAR1LPAR5
SCHEMBL21628551 0.67 LMNA (0.56) LPAR1LPAR5
SCHEMBL14732180 0.66 NR3C1 (0.50)
SCHEMBL16506848 0.66 LPAR1 (1.00) LPAR1LPAR5
SCHEMBL16507486 0.65 LPAR1 (1.00) LPAR1LPAR5

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