SCHEMBL8082048

SCHEMBL8082048

CCCCCCOc1c2c(c(-c3ccc4c(c3)OCO4)c3c4c(ccc13)OCO4)C(=O)NC2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
DYRK3 O43781 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
DYRK1A Q13627 1/20 0.38
CSNK2A3 Q8NEV1 1/20 0.38
DYRK2 Q92630 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
PARP1 P09874 1/20 0.38
EDNRB P24530 3/20 0.36
EDNRA P25101 3/20 0.36
ALDH1A1 P00352 3/20 0.35
CNR2 P34972 2/20 0.35
ALOX5 P09917 1/20 0.35
CNR1 P21554 1/20 0.35
MAPT P10636 2/20 0.35
HSD17B10 Q99714 2/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL8082083 0.87 TDP1 (0.42) MEN1KMT2APARP1EDNRBEDNRA
SCHEMBL8085156 0.86 ALOX5 (0.44) MEN1KMT2ADYRK3CSNK2A2CSNK2B
SCHEMBL8085195 0.84 MAPT (0.45) MEN1KMT2AEDNRBEDNRAALDH1A1
SCHEMBL8085152 0.81 ALOX5 (0.38) MEN1KMT2AEDNRBEDNRAALDH1A1
SCHEMBL8081635 0.80 ALOX5 (0.40) MEN1KMT2AEDNRAALOX5
SCHEMBL8085138 0.79 ALOX5 (0.46) MEN1KMT2APARP1EDNRBEDNRA
SCHEMBL8082065 0.78 ALOX5 (0.45) MEN1KMT2AALOX5
SCHEMBL8467071 0.78 EDNRB (0.34) DYRK3CSNK2A2CSNK2BCSNK2A1DYRK1A
SCHEMBL8082003 0.74 TDP1 (0.44) MEN1KMT2AALDH1A1ALOX5MAPT
SCHEMBL8080564 0.74 CDK2 (0.41) MEN1KMT2AEDNRBEDNRAALDH1A1

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