SCHEMBL4778745

SCHEMBL4778745

CCCCOc1ccc(C(=O)OC)c(N)c1.CCCCOc1ccc(C(=O)OC)c(N=CN(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
ABL1 P00519 1/20 0.40
THRA P10827 8/20 0.39
THRB P10828 8/20 0.39
PLA2G2A P14555 2/20 0.38
CFTR P13569 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ALPL P05186 1/20 0.36

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
SCHEMBL4778737 1.00 MAOA (0.41) MAOAMAOBALDH1A1HSD17B10KDM4E
SCHEMBL4253926 0.93 MAOA (0.45) MAOAMAOBALDH1A1KDM4EHPGD
SCHEMBL4253929 0.93 MAOA (0.45) MAOAMAOBALDH1A1KDM4EHPGD
SCHEMBL4261209 0.84 MAOA (0.47) MAOAMAOBTHRATHRBPLA2G2A
SCHEMBL4261211 0.84 MAOA (0.47) MAOAMAOBTHRATHRBPLA2G2A
SCHEMBL4251894 0.84 ALDH1A1 (0.55) MAOAMAOBALDH1A1HSD17B10KDM4E
SCHEMBL24392404 0.79 KDM4E (0.46) ALDH1A1HSD17B10KDM4EHPGDGLA
SCHEMBL29262921 0.79 KDM4E (0.46) ALDH1A1HSD17B10KDM4EHPGDGLA
SCHEMBL29589039 0.79 KDM4E (0.46) ALDH1A1HSD17B10KDM4EHPGDGLA
SCHEMBL11153695 0.79 ALDH1A1 (0.55) MAOAMAOBALDH1A1HSD17B10KDM4E

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
EP-1986646-A1 NOVEL AZACYCLY-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS Sanofi-Aventis (FR) 2008-11-05 EP disclosed
WO-2007093363-A1 NOVEL AZACYCLY-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 WO disclosed