SCHEMBL8081908

SCHEMBL8081908

CCOc1ccc2cc3c(c(-c4ccc(OC)cc4)c2c1)CNC3=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.49
PIK3CD O00329 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
MAPKAPK2 P49137 2/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
GPR35 Q9HC97 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
EDNRB P24530 2/20 0.38
NQO2 P16083 1/20 0.37
PARP1 P09874 2/20 0.36
ROCK2 O75116 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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 0.91 ALOX5 (0.55) ALOX5MAPKAPK2NQO2PARP1ROCK2
SCHEMBL8080761 0.87 ALOX5 (0.48) ALOX5MAPKAPK2ROCK2KDM4ESMN1; SMN2
SCHEMBL8081224 0.86 ALOX5 (0.53) ALOX5EDNRB
SCHEMBL8085101 0.85 ALOX5 (0.52) ALOX5MAPKAPK2NQO2ROCK2KDM4E
SCHEMBL8084959 0.84 ALOX5 (0.47) ALOX5PIK3CDPIK3CBPIK3CGMAPKAPK2
SCHEMBL8085131 0.84 ALOX5 (0.51) ALOX5MAPKAPK2NQO2ROCK2KMT2A
SCHEMBL8086655 0.84 ROCK2 (0.49) ALOX5MAPKAPK2ROCK2KDM4EMEN1
SCHEMBL8086679 0.81 ALOX5 (0.48) ALOX5MAPKAPK2NQO2ROCK2
SCHEMBL8082235 0.81 ALOX5 (0.48) ALOX5MAPKAPK2NQO2ROCK2
SCHEMBL8467392 0.81 RXFP1 (0.52) ALOX5MAPKAPK2ROCK2KDM4E

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