SCHEMBL7817490

SCHEMBL7817490

CC(=O)C1=C(C)NC(C)=C(C(C)=O)C1c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
POLB P06746 3/20 0.61
MAPT P10636 3/20 0.61
GAA P10253 2/20 0.61
MEN1 O00255 1/20 0.61
MAPK1 P28482 1/20 0.61
KMT2A Q03164 1/20 0.61
LMNA P02545 3/20 0.58
USP2 O75604 2/20 0.58
ADORA3 P0DMS8 1/20 0.56
CACNA1D Q01668 2/20 0.55
CACNA1F O60840 1/20 0.51
CACNA1S Q13698 1/20 0.51
CACNA1C Q13936 1/20 0.51
CACNA1B Q00975 1/20 0.49
HSD17B10 Q99714 3/20 0.48
TSHR P16473 3/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
KDM4E B2RXH2 3/20 0.46

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
SCHEMBL11867712 0.95 ALDH1A1 (0.57) ALDH1A1POLBMAPTGAAMEN1
SCHEMBL7410687 0.86 CACNA1B (0.61) ALDH1A1POLBMAPTGAAMEN1
SCHEMBL11860075 0.86 ADORA3 (0.80) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL7807493 0.85 ALDH1A1 (0.50) ALDH1A1POLBMAPTGAAMEN1
SCHEMBL7815478 0.83 ALDH1A1 (0.64) ALDH1A1POLBMAPTGAAMEN1
SCHEMBL11862107 0.83 ADORA3 (0.66) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL7817406 0.81 ABCC1 (0.65) ALDH1A1POLBMAPTGAAMEN1
SCHEMBL11866315 0.81 ADORA3 (0.60) ALDH1A1POLBMAPTGAAMEN1
SCHEMBL11815089 0.80 ADORA3 (0.60) ALDH1A1POLBMAPTGAAMEN1
SCHEMBL3905675 0.80 ADORA3 (0.83) ALDH1A1POLBMAPTGAAMEN1

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-6265127-B1 1, 4-dihydrophyridine charge control agents for electrostatographic toners and developers EASTMAN KODAK COMPANY 2001-07-24 US disclosed
EP-1109070-A2 1,4-Dihydropyridine charge control agents for electrostatographic toners and developers EASTMAN KODAK COMPANY (US) 2001-06-20 EP disclosed