SCHEMBL5157574

SCHEMBL5157574

CC(O)CNC(=O)c1cccc(C#CCCCO)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ACACB O00763 5/20 0.47
SMPD1 P17405 1/20 0.44
ATM Q13315 1/20 0.41
ALDH1A1 P00352 1/20 0.40
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
ALOX5 P09917 3/20 0.39
EPHX2 P34913 3/20 0.39
GPR139 Q6DWJ6 1/20 0.39
NAMPT P43490 1/20 0.38

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
SCHEMBL5159586 0.89 SMPD1 (0.54) GAAKMT2AHSD17B10ACACBSMPD1
SCHEMBL2763286 0.86 GAA (0.44) GAAKMT2AHSD17B10ACACBSMPD1
SCHEMBL5157783 0.85 ACACB (0.43) GAAKMT2AHSD17B10ACACBSMPD1
SCHEMBL2763155 0.82 ACACB (0.48) ACACBATMALDH1A1
SCHEMBL17049470 0.81 ACACB (0.58) GAAKMT2AACACBATMALDH1A1
SCHEMBL5155226 0.78 GAA (0.45) GAAKMT2AHSD17B10ACACBSMPD1
SCHEMBL9717443 0.77 GAA (0.77) GAAKMT2AHSD17B10SMPD1ATM
SCHEMBL31753430 0.77 CYP4A11 (0.55) ALDH1A1
SCHEMBL16799629 0.77 CYP4A11 (0.55) ALDH1A1
SCHEMBL20810494 0.76 SMN1; SMN2 (0.52) GAAACACB

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-1745011-A2 MODULATORS OF CANNABINOID RECEPTORS UCL Biomedica plc (GB) 2007-01-24 EP disclosed
WO-2005080316-A2 MODULATORS OF CANNABINOID RECEPTORS UCL BIOMEDICA PLC. (GB) 2005-09-01 WO disclosed