SCHEMBL8084895

SCHEMBL8084895

COc1ccc(-c2c3c(cc4ccc(OCc5ccccc5)cc24)C(=O)NC3=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.53
MAOA P21397 3/20 0.53
ALOX5 P09917 3/20 0.47
CHEK1 O14757 2/20 0.46
CDK4 P11802 2/20 0.45
CCND1 P24385 2/20 0.45
STK10 O94804 1/20 0.45
SLK Q9H2G2 1/20 0.45
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPK1 P28482 1/20 0.44
NOD2 Q9HC29 1/20 0.44
GSTP1 P09211 1/20 0.44
CYP19A1 P11511 2/20 0.44
CCNE2 O96020 1/20 0.44
PRKACA P17612 1/20 0.44
PRKACG P22612 1/20 0.44
PRKACB P22694 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44

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
SCHEMBL8082188 0.85 ALOX5 (0.49) ALOX5CHEK1CDK4CCND1GSTP1
SCHEMBL8081224 0.82 ALOX5 (0.53) MAOBMAOAALOX5MAPTNPSR1
SCHEMBL8080372 0.79 ALOX5 (0.46) MAOBMAOAALOX5CHEK1CDK4
SCHEMBL8086701 0.78 ALOX5 (0.46) MAOBALOX5CHEK1CDK4CCND1
SCHEMBL8081532 0.76 ALOX5 (0.43) ALOX5CHEK1CDK4CCND1GSTP1
SCHEMBL8072560 0.76 MAOB (0.49) MAOBALOX5CHEK1CDK4CCND1
SCHEMBL6087375 0.73 NPSR1 (0.58) MAOBALOX5MAPTNPSR1MAPK1
SCHEMBL8081504 0.72 MAOB (0.46) MAOBMAOAALOX5CDK4CCND1
SCHEMBL2427338 0.71 TNKS (0.53) MAOBMAPTGSTP1
SCHEMBL7773493 0.71 ALOX5 (0.58) MAOBMAOAALOX5MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6030967-A AND/OR LIKE NEUROTROPHIC FACTOR (FOR EXAMPLE, NERVE GROWTH FACTOR (NGF), BRAIN-DERIVED NEUROTROPHIC FACTOR, NEUROTROPHIN-3, AND GLIAL CELL LINE-DERIVED NEUROTROPHIC FACTOR)-LIKE ACTIVITY; OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-02-29 US disclosed
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