SCHEMBL4029133

SCHEMBL4029133

CCC(OCc1ccc(-c2onc(C)c2NC(=O)OC(C)c2ccccc2Cl)cc1)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 17/20 0.73
LPAR3 Q9UBY5 4/20 0.73
LPAR2 Q9HBW0 2/20 0.73
ABCC3 O15438 1/20 0.48
ABCC4 O15439 1/20 0.48
ABCB11 O95342 1/20 0.48
CYP2C8 P10632 1/20 0.48
CYP2C9 P11712 1/20 0.48
ABCB4 P21439 1/20 0.48
ABCC2 Q92887 1/20 0.48
SLCO1B3 Q9NPD5 1/20 0.48
SLCO1B1 Q9Y6L6 1/20 0.48
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 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
SCHEMBL4029087 0.87 LPAR1 (0.79) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL4029162 0.86 LPAR1 (0.78) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL4031090 0.86 LPAR1 (0.79) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL13283926 0.85 LPAR1 (0.81) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL13283835 0.85 LPAR1 (0.81) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL3714438 0.85 LPAR1 (0.81) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL12068519 0.85 LPAR1 (0.84) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL4030159 0.85 LPAR1 (0.80) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL4028688 0.85 LPAR1 (0.80) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2292013 0.85 LPAR1 (1.00) 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