SCHEMBL8082003

SCHEMBL8082003

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RECQL P46063 1/20 0.43
MAPT P10636 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
RAD52 P43351 1/20 0.40
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR1E P28566 1/20 0.38
HTR1F P30939 1/20 0.38
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL8081635 0.86 ALOX5 (0.40) TDP1MEN1KMT2AALOX5NPC1
SCHEMBL8081513 0.85 ALOX5 (0.46) TDP1KDM4EALDH1A1RECQLMAPT
SCHEMBL8082083 0.83 TDP1 (0.42) TDP1KDM4EALDH1A1RECQLMAPT
SCHEMBL8082065 0.81 ALOX5 (0.45) MEN1KMT2AALOX5NPC1RAB9A
SCHEMBL8085195 0.78 MAPT (0.45) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL8085152 0.76 ALOX5 (0.38) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL8082048 0.74 MEN1 (0.39) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL8072357 0.72 ALOX5 (0.44) TDP1KDM4EALDH1A1RECQLMAPT
SCHEMBL8080604 0.71 ALOX5 (0.50) TDP1KDM4EALDH1A1MAPTMEN1
SCHEMBL2959109 0.71 ALOX5 (0.48) MEN1KMT2AALOX5PDE10A

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