SCHEMBL3265016

SCHEMBL3265016

CCCCCCC(=O)c1cnno1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 6/20 0.44
FFAR1 O14842 1/20 0.42
PLA2G2A P14555 1/20 0.42
PLA2G5 P39877 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
FAAH O00519 2/20 0.40
CES1 P23141 1/20 0.40
PLA2G4A P47712 1/20 0.40

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
SCHEMBL19458018 0.73 HSD17B3 (0.55) HSD17B3FFAR1PLA2G2APLA2G5MEN1
SCHEMBL19457999 0.73 HSD17B3 (0.55) HSD17B3FFAR1PLA2G2APLA2G5MEN1
SCHEMBL9848140 0.71 HSD17B3 (0.46) HSD17B3MEN1ALDH1A1MAPTHTT
SCHEMBL19458032 0.71 HSD17B3 (0.53) HSD17B3FFAR1PLA2G2APLA2G5MEN1
SCHEMBL25222615 0.68 GAA (0.59) HSD17B3MEN1ALDH1A1MAPTHTT
SCHEMBL4382929 0.68 GAA (0.59) HSD17B3MEN1ALDH1A1MAPTHTT
SCHEMBL4373141 0.68 GAA (0.59) HSD17B3MEN1ALDH1A1MAPTHTT
SCHEMBL18825687 0.68 GAA (0.59) HSD17B3MEN1ALDH1A1MAPTHTT
SCHEMBL10353082 0.68 GAA (0.59) HSD17B3MEN1ALDH1A1MAPTHTT
SCHEMBL18825664 0.68 GAA (0.59) HSD17B3MEN1ALDH1A1MAPTHTT

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-2010005572-A2 ALPHA-KETO HETEROCYCLES AS FAAH INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-01-14 WO disclosed