SCHEMBL3340608

SCHEMBL3340608

CC(C)c1ccc(N(c2ccc(C=O)cc2)c2ccc(C=O)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.76
ALDH1A1 P00352 5/20 0.53
ALDH1A3 P47895 2/20 0.53
ALDH3A1 P30838 1/20 0.53
CYP2A6 P11509 3/20 0.52
CYP2A13 Q16696 1/20 0.52
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
PIM1 P11309 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
SIRT5 Q9NXA8 1/20 0.38
GRIA4 P48058 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL8034859 0.93 TYR (0.66) TYRALDH1A1ALDH1A3ALDH3A1CYP2A6
Cuminaldehyde SCHEMBL719761 0.87 TYR (1.00) TYRALDH1A1ALDH1A3CYP2A6CYP2A13
Cuminaldehyde SCHEMBL87226 0.87 TYR (1.00) TYRALDH1A1ALDH1A3CYP2A6CYP2A13
Cuminaldehyde SCHEMBL29012835 0.85 TYR (0.86) TYRALDH1A1ALDH1A3ALDH3A1CYP2A6
SCHEMBL10042628 0.83 PTGS1 (0.52) TYRALDH1A1KDM4EMAPK1POLB
SCHEMBL309261 0.82 ALDH1A1 (0.65) TYRALDH1A1ALDH1A3ALDH3A1CYP2A6
SCHEMBL29258833 0.82 ALDH1A1 (0.65) TYRALDH1A1ALDH1A3ALDH3A1CYP2A6
SCHEMBL12922764 0.82 TYR (0.44) TYRALDH1A1KDM4EMAPK1LMNA
SCHEMBL18805967 0.82 TYR (0.44) TYRALDH1A1KDM4EMAPK1LMNA
SCHEMBL18622069 0.82 CYP2A6 (0.55) TYRALDH1A1ALDH1A3ALDH3A1CYP2A6

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-8663882-B2 Electrophotographic photosensitive body, image-forming device using same and cartridge MITSUBISHI CHEMICAL CORPORATION (JP) 2014-03-04 US disclosed
US-20100150608-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE BODY, IMAGE-FORMING DEVICE USING SAME AND CARTRIDGE MITSUBISHI CHEMICAL CORPORATION (JP) 2010-06-17 US disclosed
EP-1930778-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE BODY, IMAGE-FORMING DEVICE USING SAME AND CARTRIDGE Mitsubishi Chemical Corporation (JP) 2008-06-11 EP disclosed