SCHEMBL14710233

SCHEMBL14710233

CCc1ccccc1[C@@H](C)OC(=O)Nc1ncsc1-c1ccc(-c2ccc(C3(C(=O)OC)CC3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 12/20 0.44
LPAR3 Q9UBY5 4/20 0.44
ABCC3 O15438 1/20 0.38
ABCC4 O15439 1/20 0.38
ABCB11 O95342 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
ABCB4 P21439 1/20 0.38
ABCC2 Q92887 1/20 0.38
SLCO1B3 Q9NPD5 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38
HRH1 P35367 1/20 0.37

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
SCHEMBL14790390 0.89 LPAR1 (0.45) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL14710262 0.87 LPAR1 (0.55) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL14710241 0.81 LPAR1 (0.51) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL14710711 0.79 SMN1; SMN2 (0.41) CYP2C9
SCHEMBL14710239 0.79 LPAR1 (0.61) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL14790389 0.76 LPAR1 (0.43) LPAR1LPAR3
SCHEMBL14711092 0.76 LPAR1 (0.44) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL14790385 0.73 LPAR1 (0.47) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL14712095 0.73 LPAR1 (0.57) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL14710638 0.72 LPAR1 (0.47) LPAR1LPAR3ABCC3ABCC4ABCB11

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
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 WO disclosed