SCHEMBL2740927

SCHEMBL2740927

Cc1ccc(N(c2ccc(C)cc2)c2ccc(CC=O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
CNR2 P34972 5/20 0.39
CYP2C19 P33261 1/20 0.38
CNR1 P21554 3/20 0.38
IDO1 P14902 1/20 0.38
CYP2A6 P11509 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
ALDH3A1 P30838 1/20 0.36
ALDH1A3 P47895 1/20 0.36

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
SCHEMBL29443 0.87 IDO1 (0.48) ALDH1A1IDO1CYP2A6
SCHEMBL28101173 0.87 IDO1 (0.48) ALDH1A1IDO1CYP2A6
SCHEMBL27275726 0.84 IDO1 (0.46) ALDH1A1IDO1CYP2A6
Acetaldehyde SCHEMBL27507154 0.82 IDO1 (0.44) ALDH1A1IDO1CYP2A6
SCHEMBL18104282 0.82 CNR2 (0.48) ALDH1A1TSHRCNR2CYP2C19CNR1
SCHEMBL806277 0.79 CYP2A6 (0.59) ALDH1A1TSHRCNR2CNR1CYP2A6
SCHEMBL12203011 0.78 CYP1A2 (0.52) ALDH1A1TSHRCNR2CYP2C19CNR1
SCHEMBL13383799 0.78 TSHR (0.46) ALDH1A1TSHRCNR2CYP2C19CNR1
SCHEMBL6004796 0.78 ALDH1A1 (0.54) ALDH1A1TSHRCNR2CYP2C19CNR1
SCHEMBL14732514 0.78 CYP1A2 (0.52) ALDH1A1TSHRCNR2CYP2C19CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088541-B2 Polyvinyl acetal resin, electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2012-01-03 US disclosed
US-8088541-B2 Polyvinyl acetal resin, electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2012-01-03 US disclosed
US-20090123176-A1 POLYVINYL ACETAL RESIN, ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2009-05-14 US disclosed
US-20090123176-A1 POLYVINYL ACETAL RESIN, ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2009-05-14 US disclosed