SCHEMBL8467392

SCHEMBL8467392

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.52
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 2/20 0.47
RECQL P46063 1/20 0.47
ALOX5 P09917 4/20 0.46
SLC22A12 Q96S37 2/20 0.40
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
GPR84 Q9NQS5 1/20 0.40
POLB P06746 1/20 0.39
APOBEC3A P31941 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDR P35968 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
SCHEMBL8084959 0.89 ALOX5 (0.47) RXFP1ALOX5GPR84KDRMAPKAPK2
SCHEMBL8072870 0.87 ALOX5 (0.55) ALDH1A1HPGDKDM4EALOX5GPR84
SCHEMBL8080761 0.84 ALOX5 (0.48) RXFP1ALDH1A1HPGDKDM4EALOX5
SCHEMBL8086655 0.83 ROCK2 (0.49) RXFP1ALDH1A1HPGDKDM4ERECQL
SCHEMBL8085101 0.82 ALOX5 (0.52) ALDH1A1HPGDKDM4EALOX5KDR
SCHEMBL8081908 0.81 ALOX5 (0.49) KDM4EALOX5MAPKAPK2ROCK2
SCHEMBL8085131 0.81 ALOX5 (0.51) ALOX5POLBKDRMAPKAPK2ROCK2
SCHEMBL8467393 0.80 ALOX5 (0.42) ALOX5SLC22A12GPR84KDRMAPKAPK2
SCHEMBL8081224 0.79 ALOX5 (0.53) ALOX5KDR
SCHEMBL8086679 0.78 ALOX5 (0.48) ALOX5KDRMAPKAPK2ROCK2

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