SCHEMBL12367185

SCHEMBL12367185

Fc1c(F)c(F)c(-c2c3c(c(-c4c(F)c(F)c(F)c(F)c4F)c4ccccc24)-c2ccc(-c4ccc5c(c4)-c4cccc6cccc-5c46)c4cccc-3c24)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TSHR P16473 3/20 0.40
MAPK1 P28482 3/20 0.40
HSD17B10 Q99714 3/20 0.40
CASP1 P29466 3/20 0.40
HPGD P15428 2/20 0.40
HIF1A Q16665 2/20 0.40
CASP7 P55210 2/20 0.40
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.40
PABPC1 P11940 3/20 0.34
CYP3A4 P08684 1/20 0.34
DNMT1 P26358 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
ANPEP P15144 1/20 0.34
PTPRC P08575 1/20 0.33

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
SCHEMBL12367183 0.82 ALDH1A1 (0.38) ALDH1A1TSHRMAPK1HSD17B10CASP1
SCHEMBL2201454 0.81 ALDH1A1 (0.62) ALDH1A1TSHRMAPK1HSD17B10CASP1
SCHEMBL13436151 0.80 ALDH1A1 (0.36) ALDH1A1TSHRMAPK1HSD17B10CASP1
SCHEMBL12367181 0.80 TGFBR1 (0.38) ALDH1A1TSHRMAPK1HSD17B10CASP1
SCHEMBL22824055 0.79 ALDH1A1 (0.37) ALDH1A1TSHRMAPK1HSD17B10CASP1
SCHEMBL23806041 0.78 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1HSD17B10CASP1
SCHEMBL12367184 0.77 PTPRC (0.37) ALDH1A1TSHRMAPK1HSD17B10CASP1
SCHEMBL13878099 0.77 CRHBP (0.38) ALDH1A1TSHRMAPK1HSD17B10CASP1
SCHEMBL13492587 0.76 ENPP1 (0.35) ALDH1A1TSHRMAPK1HSD17B10CASP1
SCHEMBL12367186 0.76 ENPP1 (0.38) ALDH1A1TSHRMAPK1HSD17B10CASP1

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 3 patents. 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
US-20110198582-A1 ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2011-08-18 US disclosed
WO-2010047403-A1 ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2010-04-29 WO disclosed