SCHEMBL8084922

SCHEMBL8084922

Cc1c2c(c(-c3ccc4c(c3)OCO4)c3c4c(ccc13)OCO4)CNC2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.53
NQO2 P16083 2/20 0.40
BRD4 O60885 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
RAB9A P51151 2/20 0.39
MAPK1 P28482 1/20 0.37
MAP2K4 P45985 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
MAPKAPK3 Q16644 1/20 0.37
MAPK6 Q16659 1/20 0.37
MAPKAPK5 Q8IW41 1/20 0.37
PDE10A Q9Y233 1/20 0.37
CYP19A1 P11511 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 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
SCHEMBL8080877 0.89 ALOX5 (0.43) ALOX5NQO2BRD4MEN1KMT2A
SCHEMBL8082124 0.88 PTGS2 (0.42) ALOX5NQO2MEN1KMT2ARAB9A
SCHEMBL8080604 0.86 ALOX5 (0.50) ALOX5NQO2BRD4MEN1KMT2A
SCHEMBL8085294 0.86 ALOX5 (0.38) ALOX5NQO2RAB9AMAPKAPK2CYP19A1
SCHEMBL8080610 0.86 ALOX5 (0.50) ALOX5NQO2MEN1KMT2ARAB9A
SCHEMBL8082177 0.85 ALOX5 (0.38) ALOX5NQO2MEN1KMT2AMAP2K4
Dimethylamine SCHEMBL8081518 0.83 ALOX5 (0.47) ALOX5NQO2BRD4MEN1KMT2A
SCHEMBL8085135 0.83 ALOX5 (0.47) ALOX5NQO2BRD4MEN1KMT2A
SCHEMBL8082065 0.83 ALOX5 (0.45) ALOX5NQO2BRD4MEN1KMT2A
SCHEMBL8085138 0.82 ALOX5 (0.46) ALOX5BRD4MEN1KMT2ARAB9A

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