SCHEMBL8081635

SCHEMBL8081635

CCc1c2c(c(-c3ccc4c(c3)OCO4)c3c4c(ccc13)OCO4)C(=O)NC2=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.40
BRD4 O60885 2/20 0.38
NQO2 P16083 1/20 0.38
PDE10A Q9Y233 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PRNP P04156 1/20 0.36
EDNRA P25101 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
SCHEMBL8082003 0.86 TDP1 (0.44) ALOX5BRD4NQO2PDE10ATDP1
SCHEMBL8082065 0.85 ALOX5 (0.45) ALOX5BRD4NQO2PDE10AMEN1
SCHEMBL8080604 0.84 ALOX5 (0.50) ALOX5BRD4NQO2PDE10ATDP1
SCHEMBL8085195 0.82 MAPT (0.45) ALOX5NQO2MEN1KMT2ANPC1
Dimethylamine SCHEMBL8081518 0.81 ALOX5 (0.47) ALOX5BRD4NQO2PDE10ATDP1
SCHEMBL8082048 0.80 MEN1 (0.39) ALOX5MEN1KMT2AEDNRA
SCHEMBL8085152 0.80 ALOX5 (0.38) ALOX5NQO2PDE10AMEN1KMT2A
SCHEMBL8082083 0.78 TDP1 (0.42) ALOX5BRD4TDP1MEN1KMT2A
SCHEMBL2959109 0.74 ALOX5 (0.48) ALOX5PDE10AMEN1KMT2A
SCHEMBL8086666 0.73 PTGS2 (0.44) NQO2HSP90AA1HSP90AB1MEN1KMT2A

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