SCHEMBL4029159

SCHEMBL4029159

Cc1noc(-c2ccc(COc3ccccc3)cc2)c1N(C(=O)O)C(C)c1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.47
LPAR2 Q9HBW0 2/20 0.47
LPAR3 Q9UBY5 2/20 0.47
ALOX5 P09917 5/20 0.44
ALOX5AP P20292 4/20 0.44
NR1H4 Q96RI1 10/20 0.42
LIFR P42702 2/20 0.42
PPARD Q03181 5/20 0.41
SMPD1 P17405 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL4029083 0.91 LPAR1 (0.48) LPAR1LPAR2LPAR3ALOX5ALOX5AP
SCHEMBL4034499 0.88 LPAR1 (0.48) LPAR1LPAR2LPAR3
SCHEMBL4034108 0.86 LPAR1 (0.44) LPAR1LPAR2LPAR3PTGS1
SCHEMBL4033894 0.86 LPAR1 (0.44) LPAR1LPAR2LPAR3
SCHEMBL4034159 0.85 LPAR1 (0.44) LPAR1LPAR2LPAR3ALOX5ALOX5AP
SCHEMBL4036760 0.85 LPAR1 (0.44) LPAR1LPAR2LPAR3ALOX5ALOX5AP
SCHEMBL4033523 0.85 LPAR1 (0.43) LPAR1LPAR2LPAR3
SCHEMBL4034918 0.84 LPAR1 (0.45) LPAR1LPAR2LPAR3
SCHEMBL15437576 0.84 LPAR1 (0.43) LPAR1LPAR2LPAR3
SCHEMBL4032476 0.84 LPAR1 (0.43) LPAR1LPAR2LPAR3

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