SCHEMBL13292099

SCHEMBL13292099

O=C1C(=O)c2cc(C(F)(F)F)cc3cc(C(F)(F)F)cc1c23

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.34
▸ BCHE P06276 1/20 0.34
▸ CES1 P23141 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ PARP1 P09874 1/20 0.33
▸ PARP10 Q53GL7 1/20 0.33
▸ XDH P47989 1/20 0.32
▸ SLC22A12 Q96S37 1/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ XPO1 O14980 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ TXNRD1 Q16881 1/20 0.31
▸ TXNRD3 Q86VQ6 1/20 0.31
▸ TXNRD2 Q9NNW7 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL13301951 0.89 RAPGEF4 (0.35) CES2XPO1CYP3A4CYP1A2MAPT
SCHEMBL13292097 0.85 CES1 (0.55) CES2ALDH1A1BCHECES1MCL1
SCHEMBL31211721 0.77 ALDH1A1 (0.44) CES2ALDH1A1BCHECES1MCL1
SCHEMBL24276297 0.73 ALDH1A1 (0.43) ALDH1A1CES1DHODHHPGDTSHR
SCHEMBL13292063 0.70 PARP1 (0.46) CES2ALDH1A1PARP1PARP10DHODH
SCHEMBL22932169 0.70 PARP1 (0.46) CES2ALDH1A1PARP1PARP10DHODH
SCHEMBL13292076 0.65 PTGS2 (0.43) ALDH1A1MAPTMAOB
SCHEMBL18528794 0.65 NPC1 (0.50) CES2ALDH1A1PARP1PARP10NFKB1
SCHEMBL440959 0.64 CES2 (0.58) CES2ALDH1A1XPO1CYP3A4HPGD
SCHEMBL13292064 0.64 NPC1 (0.58) CES2ALDH1A1BCHECES1DHODH

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745083-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2010-06-29 — — US disclosed
US-20090297218-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2009-12-03 — — US disclosed
US-7592113-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2009-09-22 — — US disclosed
US-20080233499-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2008-09-25 — — US disclosed
US-7396622-B2 Having a charge generation layer containing a phenanthrene compound, a phenanthroline compound or an acenaphthene compound that has two oxo-, phenylimino- or dicyanovinylene groups that may be the same or different; charge-generating material is preferably hydroxygallium phthalocyanine. CANON KABUSHIKI KAISHA (JP) 2008-07-08 — — US disclosed
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