SCHEMBL4029083

SCHEMBL4029083

COCc1ccc(-c2onc(C)c2N(C(=O)O)C(C)c2ccccc2Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 9/20 0.48
LPAR3 Q9UBY5 4/20 0.48
LPAR2 Q9HBW0 2/20 0.48
ALOX5 P09917 2/20 0.35
ALOX5AP P20292 2/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NR1H4 Q96RI1 3/20 0.33
PPARD Q03181 2/20 0.33

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
SCHEMBL4029159 0.91 LPAR1 (0.47) LPAR1LPAR3LPAR2ALOX5ALOX5AP
SCHEMBL4030608 0.90 LPAR1 (0.42) LPAR1LPAR3LPAR2MAPTMEN1
SCHEMBL4034499 0.89 LPAR1 (0.48) LPAR1LPAR3LPAR2MAPTMEN1
SCHEMBL4034108 0.88 LPAR1 (0.44) LPAR1LPAR3LPAR2MAPTMEN1
SCHEMBL4033894 0.87 LPAR1 (0.44) LPAR1LPAR3LPAR2MAPTMEN1
SCHEMBL4034159 0.87 LPAR1 (0.44) LPAR1LPAR3LPAR2ALOX5ALOX5AP
SCHEMBL4036760 0.87 LPAR1 (0.44) LPAR1LPAR3LPAR2ALOX5ALOX5AP
SCHEMBL4033523 0.86 LPAR1 (0.43) LPAR1LPAR3LPAR2MAPTMEN1
SCHEMBL4034918 0.86 LPAR1 (0.45) LPAR1LPAR3LPAR2
SCHEMBL15437576 0.85 LPAR1 (0.43) LPAR1LPAR3LPAR2MAPTMEN1

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