SCHEMBL4033456

SCHEMBL4033456

COCc1noc(-c2ccccc2)c1N(C(=O)O)C(C)c1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.39
LPAR3 Q9UBY5 3/20 0.39
LPAR2 Q9HBW0 2/20 0.39
PTGS1 P23219 2/20 0.35
NR1H4 Q96RI1 5/20 0.33
CTSA P10619 2/20 0.33
ALOX5 P09917 1/20 0.33
ALOX5AP P20292 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LIFR P42702 1/20 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
SCHEMBL4034622 0.89 LPAR1 (0.38) LPAR1LPAR3LPAR2CTSALMNA
SCHEMBL4029083 0.84 LPAR1 (0.48) LPAR1LPAR3LPAR2NR1H4ALOX5
SCHEMBL4034108 0.83 LPAR1 (0.44) LPAR1LPAR3LPAR2PTGS1LMNA
SCHEMBL4030608 0.82 LPAR1 (0.42) LPAR1LPAR3LPAR2NR1H4CTSA
SCHEMBL4034389 0.80 TRPA1 (0.39) LPAR1LPAR3LPAR2NR1H4ALOX5
SCHEMBL4033894 0.79 LPAR1 (0.44) LPAR1LPAR3LPAR2CTSALMNA
SCHEMBL4034159 0.78 LPAR1 (0.44) LPAR1LPAR3LPAR2CTSAALOX5
SCHEMBL4032913 0.77 LPAR1 (0.42) LPAR1LPAR3LPAR2CTSALMNA
SCHEMBL4029159 0.77 LPAR1 (0.47) LPAR1LPAR3LPAR2PTGS1NR1H4
SCHEMBL4034499 0.77 LPAR1 (0.48) LPAR1LPAR3LPAR2

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