SCHEMBL5811181

SCHEMBL5811181

CCCOC(=O)C(NC(C)=O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CNR1 P21554 1/20 0.38
DAGLA Q9Y4D2 1/20 0.38
ACACB O00763 6/20 0.37
BIRC2 Q13490 1/20 0.36
ACACA Q13085 1/20 0.36
PLA2G2C Q5R387 1/20 0.36
PSMB5 P28074 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL5811182 1.00 MAPT (0.42) MAPTHSD17B10CNR1DAGLAACACB
SCHEMBL5812977 0.89 ACACB (0.37) MAPTHSD17B10ACACBACACAPLA2G2C
SCHEMBL5812983 0.89 ACACB (0.37) MAPTHSD17B10ACACBACACAPLA2G2C
SCHEMBL30698112 0.88 BIRC2 (0.38) MAPTHSD17B10CNR1DAGLAACACB
SCHEMBL30698089 0.88 BIRC2 (0.38) MAPTHSD17B10CNR1DAGLAACACB
SCHEMBL16119929 0.86 MAPT (0.40) MAPTHSD17B10CNR1DAGLABIRC2
SCHEMBL5807118 0.85 MEN1 (0.40) MAPTCNR1DAGLAACACBACACA
SCHEMBL5807112 0.85 MEN1 (0.40) MAPTCNR1DAGLAACACBACACA
SCHEMBL16119931 0.85 TRPV1 (0.40) MAPTHSD17B10CNR1DAGLAPLA2G2C
SCHEMBL5812114 0.84 ALDH1A1 (0.42) MAPTHSD17B10CNR1DAGLAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO claimed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US claimed
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO disclosed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US disclosed