SCHEMBL2763286

SCHEMBL2763286

CNC(=O)CCCC#Cc1cccc(C(=O)NCC(C)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ACACB O00763 5/20 0.44
SMPD1 P17405 1/20 0.41
GPR139 Q6DWJ6 1/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX5 P09917 4/20 0.37
EPHX2 P34913 4/20 0.37
PRMT5 O14744 1/20 0.37
HDAC3 O15379 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 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
SCHEMBL5157574 0.86 GAA (0.48) GAAKMT2AHSD17B10ACACBSMPD1
SCHEMBL5157783 0.86 ACACB (0.43) GAAKMT2AHSD17B10ACACBSMPD1
SCHEMBL5159586 0.85 SMPD1 (0.54) GAAKMT2AHSD17B10ACACBSMPD1
SCHEMBL2763285 0.83 ACACB (0.44) ACACBGPR139ATMALDH1A1NPC1
SCHEMBL20810461 0.82 ACACB (0.42) GAAKMT2AACACBALDH1A1NPC1
SCHEMBL5155226 0.75 GAA (0.45) GAAKMT2AHSD17B10ACACBSMPD1
SCHEMBL5157915 0.74 GAA (0.44) GAAKMT2AHSD17B10SMPD1ATM
SCHEMBL9717443 0.74 GAA (0.77) GAAKMT2AHSD17B10SMPD1ATM
SCHEMBL20810494 0.73 SMN1; SMN2 (0.52) GAAACACBSMN1; SMN2MAPT
SCHEMBL16799628 0.73 HDAC8 (0.45) ACACBSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2177503-A1 MODULATORS OF CANNABINOID RECEPTORS UCL Business PLC (GB) 2010-04-21 EP disclosed
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