SCHEMBL8082083

SCHEMBL8082083

CN(C)CCOc1c2c(c(-c3ccc4c(c3)OCO4)c3c4c(ccc13)OCO4)C(=O)NC2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
EDNRA P25101 4/20 0.38
PARP1 P09874 1/20 0.38
EDNRB P24530 1/20 0.38
TOP1 P11387 1/20 0.36
RAB9A P51151 1/20 0.36
SLC6A9 P48067 2/20 0.35
ALOX5 P09917 1/20 0.35
FYN P06241 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
RAD52 P43351 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 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
SCHEMBL8082048 0.87 MEN1 (0.39) EDNRAPARP1EDNRBALOX5ALDH1A1
SCHEMBL8072357 0.86 ALOX5 (0.44) TDP1EDNRAPARP1EDNRBTOP1
SCHEMBL8085195 0.84 MAPT (0.45) EDNRAEDNRBRAB9AALOX5ALDH1A1
SCHEMBL8082003 0.83 TDP1 (0.44) TDP1TOP1RAB9AALOX5ALDH1A1
SCHEMBL8085152 0.81 ALOX5 (0.38) EDNRAEDNRBRAB9AALOX5ALDH1A1
SCHEMBL8086569 0.81 RAB9A (0.44) TDP1EDNRAEDNRBRAB9ASLC6A9
SCHEMBL8082065 0.78 ALOX5 (0.45) RAB9AALOX5MEN1KMT2ABRD4
SCHEMBL8081635 0.78 ALOX5 (0.40) TDP1EDNRARAB9AALOX5MEN1
SCHEMBL8085138 0.76 ALOX5 (0.46) EDNRAPARP1EDNRBRAB9AALOX5
SCHEMBL8080564 0.74 CDK2 (0.41) EDNRAEDNRBRAB9AALDH1A1KDM4E

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