SCHEMBL5159586

SCHEMBL5159586

CCCCCC#Cc1cccc(C(=O)NCC(C)O)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.54
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ACACB O00763 5/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MMP2 P08253 1/20 0.41
MMP12 P39900 1/20 0.41
ATM Q13315 1/20 0.41
TLR2 O60603 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.39

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 0.89 GAA (0.48) SMPD1GAAKMT2AHSD17B10ACACB
SCHEMBL20810362 0.85 SMN1; SMN2 (0.50) SMPD1GAAACACBSMN1; SMN2MMP2
SCHEMBL2763286 0.85 GAA (0.44) SMPD1GAAKMT2AHSD17B10ACACB
SCHEMBL5157783 0.84 ACACB (0.43) SMPD1GAAKMT2AHSD17B10ACACB
SCHEMBL20810494 0.83 SMN1; SMN2 (0.52) GAAACACBSMN1; SMN2MAPT
SCHEMBL2763802 0.81 ACACB (0.49) ACACBSMN1; SMN2MMP2MMP12ATM
SCHEMBL20810296 0.78 MAPK1 (0.49) GAAKMT2AACACBSMN1; SMN2MAPT
SCHEMBL5155226 0.77 GAA (0.45) SMPD1GAAKMT2AHSD17B10ACACB
SCHEMBL9717443 0.76 GAA (0.77) SMPD1GAAKMT2AHSD17B10SMN1; SMN2
SCHEMBL5155596 0.76 SMPD1 (0.55) SMPD1GAAKMT2AHSD17B10SMN1; SMN2

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