SCHEMBL8467393

SCHEMBL8467393

COc1ccc(-c2c3c(cc4ccc(C(C)(O)C(=O)O)cc24)C(=O)NC3)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.42
KDR P35968 3/20 0.39
GPR84 Q9NQS5 1/20 0.36
NQO2 P16083 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
JAK2 O60674 3/20 0.35
CYP17A1 P05093 1/20 0.35
CYP3A4 P08684 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
GPR35 Q9HC97 2/20 0.33
ROCK2 O75116 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
SCHEMBL8072870 0.83 ALOX5 (0.55) ALOX5KDRGPR84NQO2MAPKAPK2
SCHEMBL8086655 0.81 ROCK2 (0.49) ALOX5KDRMAPKAPK2CYP3A4ROCK2
SCHEMBL8082235 0.81 ALOX5 (0.48) ALOX5KDRNQO2MAPKAPK2PIK3CA
SCHEMBL8467392 0.80 RXFP1 (0.52) ALOX5KDRGPR84MAPKAPK2SLC22A12
SCHEMBL8080761 0.80 ALOX5 (0.48) ALOX5MAPKAPK2ROCK2
SCHEMBL8084959 0.79 ALOX5 (0.47) ALOX5KDRGPR84NQO2MAPKAPK2
SCHEMBL8085101 0.78 ALOX5 (0.52) ALOX5KDRNQO2MAPKAPK2ROCK2
SCHEMBL8081908 0.77 ALOX5 (0.49) ALOX5NQO2MAPKAPK2PIK3CDPIK3CB
SCHEMBL8085131 0.77 ALOX5 (0.51) ALOX5KDRNQO2MAPKAPK2ROCK2
SCHEMBL8086679 0.76 ALOX5 (0.48) ALOX5KDRNQO2MAPKAPK2ROCK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920416-A1 NAPHTHOLACTAMS AND LACTONES AS BONE MORPHOGENETIC PROTEIN ACTIVE AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-06-09 EP disclosed
WO-1998007705-A1 NAPHTHOLACTAMS AND LACTONES AS BONE MORPHOGENETIC PROTEIN ACTIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-26 WO disclosed