SCHEMBL8081497

SCHEMBL8081497

COC(=O)c1cc2ccc3c(c2c(-c2ccc(C(F)(F)F)cc2)c1CC#N)OCO3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 3/20 0.39
FAAH O00519 1/20 0.35
KDM4E B2RXH2 5/20 0.35
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 4/20 0.35
HPGD P15428 3/20 0.35
TP53 P04637 2/20 0.35
MAPK1 P28482 2/20 0.35
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TSHR P16473 2/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 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
SCHEMBL8081514 0.88 TARBP2 (0.43) TARBP2KDM4EKMT2AMEN1ALDH1A1
SCHEMBL8085093 0.88 KDM4E (0.43) TARBP2KDM4EKMT2AMEN1ALDH1A1
SCHEMBL8468564 0.86 TARBP2 (0.39) TARBP2KDM4EKMT2AMEN1ALDH1A1
SCHEMBL8072434 0.85 TARBP2 (0.38) TARBP2FAAHKDM4EKMT2AMEN1
SCHEMBL8072500 0.79 XDH (0.37) KMT2AMEN1ALDH1A1HPGDTP53
SCHEMBL8082276 0.74 FABP4 (0.38) FAAHKDM4EKMT2AMEN1ALDH1A1
SCHEMBL8086618 0.74 ALOX5 (0.52) FAAHKMT2AMEN1ALDH1A1PDE1A
SCHEMBL8080755 0.73 TARBP2 (0.42) TARBP2KDM4EKMT2AMEN1ALDH1A1
SCHEMBL7663000 0.73 KMT2A (0.43) TARBP2KDM4EKMT2AMEN1ALDH1A1
SCHEMBL8072645 0.73 PDE1A (0.44) TARBP2KDM4EKMT2AMEN1ALDH1A1

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