SCHEMBL8646385

SCHEMBL8646385

CCOC(=O)COc1cc(C)cc(N)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.46
MEN1 O00255 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 1/20 0.45
POLB P06746 1/20 0.45
NLRP3 Q96P20 1/20 0.44
HPGD P15428 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44

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
SCHEMBL5361832 0.92 GAA (0.56) GAANPSR1HSD17B10KDM4EMAPK1
SCHEMBL15601402 0.82 GAA (0.50) GAANPSR1HSD17B10KDM4EMAPK1
SCHEMBL21241110 0.82 SMN1; SMN2 (0.51) GAANPSR1HSD17B10KDM4EMAPK1
SCHEMBL25235299 0.80 GAA (0.51) GAANPSR1HSD17B10KDM4EMEN1
SCHEMBL655678 0.79 TP53 (0.62) GAANPSR1HSD17B10KDM4EMAPK1
SCHEMBL29577774 0.79 TP53 (0.62) GAANPSR1HSD17B10KDM4EMAPK1
SCHEMBL6967258 0.79 GAA (0.48) GAANPSR1HSD17B10KDM4EMAPK1
SCHEMBL9503610 0.79 TP53 (0.53) GAAHSD17B10KDM4EMAPK1MEN1
SCHEMBL654389 0.78 GAA (0.66) GAANPSR1HSD17B10KDM4EALDH1A1
SCHEMBL28024691 0.77 KMT2A (0.52) GAANPSR1HSD17B10MEN1RECQL

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
US-5795892-A ANTICOAGULANTS BOEHRINGER MANNEIM GMBH (DE) 1998-08-18 US disclosed