SCHEMBL7876035

SCHEMBL7876035

CCOC(=O)CC(=O)c1cccc(-n2c(C)nc3cnccc32)c1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
ATM Q13315 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
THRB P10828 1/20 0.43
TP53 P04637 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ELANE P08246 1/20 0.42
ROCK2 O75116 1/20 0.42
HPGD P15428 2/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL7871449 0.88 GSR (0.42) ALOX15ELANEHPGDHSD17B10
SCHEMBL7869540 0.87 MEN1 (0.46) ATMKMT2AMEN1TP53ROCK2
SCHEMBL9333280 0.87 ALOX15 (0.62) ALOX15ATMKMT2AMEN1THRB
SCHEMBL9335752 0.81 HSD17B10 (0.61) ALOX15KMT2AMEN1THRBHSD17B10
SCHEMBL9384000 0.80 POLB (0.38) KMT2AMEN1TP53
SCHEMBL8329396 0.78 MEN1 (0.46) KMT2AMEN1THRBROCK2HSD17B10
SCHEMBL9726878 0.77 MAPK1 (0.52) ALOX15TP53HSD17B10
SCHEMBL9332729 0.76 MEN1 (0.46) KMT2AMEN1TP53
SCHEMBL7873335 0.76 CRBN (0.41) KMT2AMEN1HPGD
SCHEMBL9727194 0.75 TP53 (0.46) KMT2AMEN1TP53ROCK2HSD17B10

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-6306853-B1 DICARBOXYLIC ESTER DERIVATIVES OF DIHYDROPYRIDINE COMPOUNDS NIKKEN CHEMICALS CO., LTD. (JP) 2001-10-23 US disclosed
EP-1055672-A1 1,4-DIHYDROPYRIDINE DERIVATIVES Nikken Chemicals Company, Limited (JP) 2000-11-29 EP disclosed