SCHEMBL16601822

SCHEMBL16601822

CCc1cccc(CC)c1N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(C(CC)C(=O)O)C5=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.50
DPP4 P27487 2/20 0.50
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
DNMT1 P26358 7/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
NFKB1 P19838 1/20 0.38
APEX1 P27695 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
KMT2A Q03164 2/20 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
SCHEMBL16602053 0.86 ALDH1A1 (0.45) ALDH1A1GAADNMT1POLBKDM4E
SCHEMBL8070665 0.83 ANPEP (0.59) ANPEPDPP4ALDH1A1POLBKDM4E
SCHEMBL16601831 0.82 ANPEP (0.48) ANPEPDPP4ALDH1A1GAAPOLB
SCHEMBL16601804 0.80 KDM4E (0.51) ANPEPDPP4ALDH1A1KDM4EHPGD
SCHEMBL16601988 0.79 ALDH1A1 (0.48) ALDH1A1GAADNMT1POLBKDM4E
SCHEMBL16601630 0.79 ANPEP (0.54) ANPEPDPP4ALDH1A1POLBKDM4E
SCHEMBL22221562 0.78 ANPEP (0.66) ANPEPDPP4ALDH1A1POLBKDM4E
SCHEMBL12657845 0.77 ANPEP (0.52) ANPEPDPP4ALDH1A1GAAPOLB
SCHEMBL15764232 0.76 DPP4 (0.42) ANPEPDPP4ALDH1A1GAAHSD17B10
SCHEMBL24976892 0.76 ANPEP (0.51) ANPEPDPP4ALDH1A1POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed
US-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed