SCHEMBL8086679

SCHEMBL8086679

COc1ccc2cc3c(c(-c4ccc(OC(F)(F)F)cc4)c2c1)CNC3=O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.48
MAT2A P31153 1/20 0.39
ROCK2 O75116 2/20 0.38
KDR P35968 1/20 0.37
GSTP1 P09211 1/20 0.36
NQO2 P16083 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TRPV1 Q8NER1 2/20 0.36
MAPKAPK2 P49137 1/20 0.36
GRM2 Q14416 1/20 0.36
MAPK7 Q13164 1/20 0.36
PTGDR2 Q9Y5Y4 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 0.90 ALOX5 (0.55) ALOX5ROCK2KDRGSTP1NQO2
SCHEMBL8082235 0.89 ALOX5 (0.48) ALOX5ROCK2KDRGSTP1NQO2
SCHEMBL8085131 0.88 ALOX5 (0.51) ALOX5ROCK2KDRGSTP1NQO2
SCHEMBL8085101 0.86 ALOX5 (0.52) ALOX5ROCK2KDRGSTP1NQO2
SCHEMBL8084959 0.81 ALOX5 (0.47) ALOX5ROCK2KDRGSTP1NQO2
SCHEMBL8081908 0.81 ALOX5 (0.49) ALOX5ROCK2NQO2MAPKAPK2
SCHEMBL8086655 0.81 ROCK2 (0.49) ALOX5ROCK2KDRMAPKAPK2
SCHEMBL8081532 0.81 ALOX5 (0.43) ALOX5MAT2AROCK2GSTP1TRPV1
SCHEMBL8086689 0.79 ALOX5 (0.74) ALOX5L3MBTL1
SCHEMBL8467392 0.78 RXFP1 (0.52) ALOX5ROCK2KDRMAPKAPK2

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 1 patent. 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