SCHEMBL8072870

SCHEMBL8072870

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.55
MAPKAPK2 P49137 3/20 0.43
ROCK2 O75116 2/20 0.42
GSTP1 P09211 1/20 0.42
KDR P35968 3/20 0.42
NQO2 P16083 1/20 0.41
AURKA O14965 2/20 0.40
PLK4 O00444 1/20 0.40
NUAK1 O60285 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
FLT4 P35916 1/20 0.40
FLT3 P36888 1/20 0.40
AURKB Q96GD4 1/20 0.40
CDK1 P06493 3/20 0.39
CLK1 P49759 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK4 Q9NR20 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL8085101 0.94 ALOX5 (0.52) ALOX5MAPKAPK2ROCK2GSTP1KDR
SCHEMBL8085131 0.93 ALOX5 (0.51) ALOX5MAPKAPK2ROCK2GSTP1KDR
SCHEMBL8084959 0.91 ALOX5 (0.47) ALOX5MAPKAPK2ROCK2GSTP1KDR
SCHEMBL8081908 0.91 ALOX5 (0.49) ALOX5MAPKAPK2ROCK2NQO2KDM4E
SCHEMBL8086655 0.90 ROCK2 (0.49) ALOX5MAPKAPK2ROCK2KDRAURKA
SCHEMBL8082235 0.90 ALOX5 (0.48) ALOX5MAPKAPK2ROCK2GSTP1KDR
SCHEMBL8086679 0.90 ALOX5 (0.48) ALOX5MAPKAPK2ROCK2GSTP1KDR
SCHEMBL8080761 0.87 ALOX5 (0.48) ALOX5MAPKAPK2ROCK2KDM4EALDH1A1
SCHEMBL8467392 0.87 RXFP1 (0.52) ALOX5MAPKAPK2ROCK2KDRGPR84
SCHEMBL8081224 0.86 ALOX5 (0.53) ALOX5GSTP1KDRAURKAMAPT

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
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 claimed
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