SCHEMBL4037564

SCHEMBL4037564

CCc1noc(-c2ccc(CSCC(C)C(=O)O)cc2)c1NC(=O)OC(C)c1ccccc1F

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 18/20 0.53
LPAR3 Q9UBY5 5/20 0.53
LPAR2 Q9HBW0 2/20 0.53
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
ACE P12821 2/20 0.35

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
SCHEMBL4034384 0.91 LPAR1 (0.65) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL4033779 0.90 LPAR1 (0.65) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL4031101 0.89 LPAR1 (0.68) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL4034911 0.87 LPAR1 (0.58) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL4028539 0.85 LPAR1 (0.53) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL4031166 0.84 LPAR1 (0.45) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL969394 0.81 LPAR1 (0.79) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL4031483 0.81 LPAR1 (0.70) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL4029310 0.79 LPAR1 (0.82) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL4035118 0.79 LPAR1 (0.63) LPAR1LPAR3LPAR2ABCC3ABCC4

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
EP-1258484-B1 NOVEL ISOXAZOLE AND THIAZOLE COMPOUNDS AND USE THEREOF AS DRUGS KYOWA HAKKO KIRIN CO LTD (JP) 2009-01-14 EP claimed