SCHEMBL4033885

SCHEMBL4033885

COCc1ccc(-c2onc(C)c2NC(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 6/20 0.52
LPAR3 Q9UBY5 3/20 0.49
LPAR2 Q9HBW0 2/20 0.48
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
ABCC3 O15438 1/20 0.42
ABCC4 O15439 1/20 0.42
ABCB11 O95342 1/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2C9 P11712 1/20 0.42
ABCB4 P21439 1/20 0.42
ABCC2 Q92887 1/20 0.42
SLCO1B3 Q9NPD5 1/20 0.42
SLCO1B1 Q9Y6L6 1/20 0.42
ALOX5 P09917 1/20 0.39
ALOX5AP P20292 1/20 0.39
BACE1 P56817 1/20 0.38
PTGS1 P23219 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
BRD4 O60885 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
SCHEMBL4032711 0.85 LPAR1 (0.48) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL4034023 0.85 LPAR1 (0.53) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL3706068 0.84 MAPT (0.52) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL2761636 0.83 MAPT (0.53) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL4033791 0.82 LPAR1 (0.52) LPAR1LPAR3MAPTKDM4EABCC3
SCHEMBL4029416 0.82 LPAR1 (0.46) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL4037272 0.82 MAPT (0.54) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL4037667 0.81 LPAR1 (0.48) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL4032753 0.81 TP53 (0.53) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL4042302 0.81 LPAR1 (0.47) LPAR1LPAR3LPAR2MAPTKDM4E

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