SCHEMBL8085152

SCHEMBL8085152

CC(C)Oc1c2c(c(-c3ccc4c(c3)OCO4)c3c4c(ccc13)OCO4)C(=O)NC2=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.38
EDNRB P24530 1/20 0.37
EDNRA P25101 1/20 0.37
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CDK2 P24941 1/20 0.36
NQO2 P16083 1/20 0.36
PDE10A Q9Y233 1/20 0.35
KDM4E B2RXH2 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 2/20 0.34

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
SCHEMBL8085195 0.88 MAPT (0.45) ALOX5EDNRBEDNRAMAPTALDH1A1
SCHEMBL8085135 0.85 ALOX5 (0.47) ALOX5EDNRBEDNRAMAPTALDH1A1
SCHEMBL8082065 0.82 ALOX5 (0.45) ALOX5NQO2PDE10AMEN1KMT2A
SCHEMBL8082083 0.81 TDP1 (0.42) ALOX5EDNRBEDNRAMAPTALDH1A1
SCHEMBL8082048 0.81 MEN1 (0.39) ALOX5EDNRBEDNRAMAPTALDH1A1
SCHEMBL8081635 0.80 ALOX5 (0.40) ALOX5EDNRANQO2PDE10AMEN1
SCHEMBL8080564 0.78 CDK2 (0.41) EDNRBEDNRAMAPTALDH1A1LMNA
SCHEMBL8086663 0.77 PTGS2 (0.44) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL8082003 0.76 TDP1 (0.44) ALOX5MAPTALDH1A1NQO2PDE10A
SCHEMBL8080610 0.73 ALOX5 (0.50) ALOX5EDNRBEDNRAMAPTALDH1A1

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