SCHEMBL12367186

SCHEMBL12367186

Cc1cc(-c2c3c(c(-c4cc(C)cc(C(F)(F)F)c4)c4ccccc24)-c2ccc(-c4ccc5c(c4)-c4cccc6cccc-5c46)c4cccc-3c24)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.38
ALDH1A1 P00352 3/20 0.33
TSHR P16473 3/20 0.33
MAPK1 P28482 3/20 0.33
HSD17B10 Q99714 3/20 0.33
HPGD P15428 2/20 0.33
CASP1 P29466 2/20 0.33
HIF1A Q16665 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TP53 P04637 1/20 0.33
CASP7 P55210 1/20 0.33
ATM Q13315 1/20 0.32
ANPEP P15144 1/20 0.31
MCL1 Q07820 1/20 0.31
BAD Q92934 1/20 0.31
PDK2 Q15119 1/20 0.30

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
SCHEMBL13436151 0.92 ALDH1A1 (0.36) ENPP1ALDH1A1TSHRMAPK1HSD17B10
SCHEMBL12546554 0.79 ENPP1 (0.33) ENPP1
SCHEMBL12546808 0.78 ESR1 (0.39) ENPP1
SCHEMBL12567462 0.77 ENPP1 (0.33) ENPP1
SCHEMBL13496248 0.77 ESR1 (0.39) ENPP1
SCHEMBL12367185 0.76 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1HSD17B10HPGD
SCHEMBL12546368 0.75 ENPP1 (0.38) ENPP1ALDH1A1HPGDATM
SCHEMBL12032332 0.74 ENPP1 (0.43) ENPP1ALDH1A1
SCHEMBL12367183 0.74 ALDH1A1 (0.38) ENPP1ALDH1A1TSHRMAPK1HSD17B10
SCHEMBL13016374 0.74 KIF11 (0.42) ENPP1ALDH1A1TSHRMAPK1HSD17B10

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-20110198582-A1 ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2011-08-18 US disclosed