SCHEMBL4031913

SCHEMBL4031913

CCC(OCc1ccc(-c2onc(C)c2NC(=O)OC(c2ccccc2)C(F)(F)F)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 6/20 0.55
LPAR3 Q9UBY5 4/20 0.53
LPAR2 Q9HBW0 2/20 0.47
ABCC3 O15438 1/20 0.47
ABCC4 O15439 1/20 0.47
ABCB11 O95342 1/20 0.47
CYP2C8 P10632 1/20 0.47
CYP2C9 P11712 1/20 0.47
ABCB4 P21439 1/20 0.47
ABCC2 Q92887 1/20 0.47
SLCO1B3 Q9NPD5 1/20 0.47
SLCO1B1 Q9Y6L6 1/20 0.47
MAPT P10636 4/20 0.39
KDM4E B2RXH2 1/20 0.39
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
KLK7 P49862 3/20 0.35
NPSR1 Q6W5P4 1/20 0.33
KCNK3 O14649 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL4028767 0.85 LPAR1 (0.60) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL4028428 0.85 LPAR1 (0.61) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL4031915 0.84 LPAR1 (0.54) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL4029133 0.81 LPAR1 (0.73) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL16060706 0.80 LPAR1 (0.70) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL20532711 0.80 LPAR1 (0.70) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL16060704 0.80 LPAR1 (0.70) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL4033554 0.80 LPAR1 (0.68) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL4031685 0.80 LPAR1 (0.59) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL6374868 0.79 LPAR1 (0.60) 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