SCHEMBL7815344

SCHEMBL7815344

CCOC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2)C1c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.74
KDM4E B2RXH2 6/20 0.60
ALDH1A1 P00352 5/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
TSHR P16473 1/20 0.60
ABCC1 P33527 1/20 0.59
CACNA1F O60840 2/20 0.58
CACNA1D Q01668 2/20 0.58
CACNA1S Q13698 2/20 0.58
CACNA1C Q13936 2/20 0.58
HPGD P15428 3/20 0.57
GAA P10253 2/20 0.57
HSD17B10 Q99714 2/20 0.57
LMNA P02545 1/20 0.57
TP53 P04637 1/20 0.56
CACNA1B Q00975 2/20 0.55
CASP1 P29466 1/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
XBP1 P17861 1/20 0.52

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
SCHEMBL3027412 0.88 ADORA3 (0.89) ADORA3KDM4EALDH1A1SMN1; SMN2TSHR
SCHEMBL7806771 0.88 ALDH1A1 (0.54) ADORA3KDM4EALDH1A1SMN1; SMN2TSHR
SCHEMBL20610477 0.85 ADORA3 (1.00) ADORA3KDM4EALDH1A1SMN1; SMN2TSHR
SCHEMBL7820648 0.85 ALDH1A1 (0.55) ADORA3KDM4EALDH1A1SMN1; SMN2TSHR
SCHEMBL29173863 0.84 ADORA3 (0.82) ADORA3KDM4EALDH1A1SMN1; SMN2TSHR
SCHEMBL29684265 0.83 LMNA (0.59) ADORA3KDM4EALDH1A1SMN1; SMN2TSHR
SCHEMBL11860075 0.83 ADORA3 (0.80) ADORA3KDM4EALDH1A1SMN1; SMN2TSHR
SCHEMBL7821246 0.81 RAB9A (0.51) ADORA3KDM4EALDH1A1SMN1; SMN2TSHR
SCHEMBL7817206 0.81 KDM4E (0.88) ADORA3KDM4EALDH1A1SMN1; SMN2TSHR
SCHEMBL29684142 0.81 CACNA1C (0.56) ADORA3KDM4EALDH1A1TSHRCACNA1F

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