SCHEMBL4256064

SCHEMBL4256064

CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccc2cc(OC)ccc2c1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 16/20 0.73
GAA P10253 3/20 0.68
HTT P42858 1/20 0.68
ALDH1A1 P00352 12/20 0.67
HSD17B10 Q99714 6/20 0.65
TP53 P04637 1/20 0.65
POLB P06746 1/20 0.65
HPGD P15428 4/20 0.64
SMN1; SMN2 Q16637 2/20 0.62
CASP1 P29466 4/20 0.62
CASP7 P55210 3/20 0.62
TSHR P16473 1/20 0.59
MAPK1 P28482 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 1/20 0.54

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
SCHEMBL3325547 0.89 KDM4E (0.72) KDM4EGAAHTTALDH1A1HSD17B10
SCHEMBL3323430 0.85 KDM4E (0.76) KDM4EGAAHTTALDH1A1HSD17B10
SCHEMBL3323749 0.85 KDM4E (0.86) KDM4EGAAHTTALDH1A1HSD17B10
SCHEMBL12135798 0.85 KDM4E (1.00) KDM4EGAAHTTALDH1A1HSD17B10
SCHEMBL3001267 0.84 KDM4E (0.70) KDM4EGAAHTTALDH1A1HSD17B10
SCHEMBL3323056 0.82 KDM4E (0.74) KDM4EGAAHTTALDH1A1HSD17B10
SCHEMBL15765866 0.82 KDM4E (0.72) KDM4EGAAHTTALDH1A1HSD17B10
SCHEMBL3325420 0.82 KDM4E (0.63) KDM4EGAAHTTALDH1A1HSD17B10
SCHEMBL3323888 0.82 KDM4E (0.68) KDM4EGAAHTTALDH1A1HSD17B10
SCHEMBL3320549 0.82 KDM4E (0.77) KDM4EGAAHTTALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009006580-A1 OPTIONALLY CONDENSED DIHYDROPYRIDINE, DIHYDROPYRIMIDINE AND DIHYDROPYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS CV THERAPEUTICS, INC. (US) 2009-01-08 WO disclosed