SCHEMBL5157783

SCHEMBL5157783

CC(O)CNC(=O)c1cccc(C#CCCCC(=O)N(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 1/20 0.41
SMPD1 P17405 1/20 0.41
ALOX5 P09917 10/20 0.39
EPHX2 P34913 10/20 0.39
ATM Q13315 1/20 0.38
GPR139 Q6DWJ6 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
SCHEMBL2763286 0.86 GAA (0.44) ACACBGAAKMT2AHSD17B10ALDH1A1
SCHEMBL5157574 0.85 GAA (0.48) ACACBGAAKMT2AHSD17B10ALDH1A1
SCHEMBL17049464 0.85 L3MBTL1 (0.48) ACACBGAAKMT2AALDH1A1ALOX5
SCHEMBL5159586 0.84 SMPD1 (0.54) ACACBGAAKMT2AHSD17B10ALDH1A1
SCHEMBL2763421 0.84 SMN1; SMN2 (0.40) ACACBGAAKMT2AALOX5EPHX2
SCHEMBL17977245 0.84 LMNA (0.42) ACACBKMT2AALOX5EPHX2
SCHEMBL2623650 0.83 ACACB (0.44) ACACBATM
SCHEMBL17049463 0.83 ACACB (0.53) ACACBGAAALDH1A1ATM
SCHEMBL16800036 0.83 MAPK1 (0.45) ACACBGAAKMT2AHSD17B10ALDH1A1
SCHEMBL16800061 0.83 ACACB (0.40) ACACBALOX5EPHX2GPR139

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