SCHEMBL5157774

SCHEMBL5157774

CC(O)CNC(=O)c1cccc(CCCCCC#N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
SMPD1 P17405 2/20 0.42
ATM Q13315 1/20 0.41
SPHK2 Q9NRA0 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
LMNA P02545 1/20 0.40
NAMPT P43490 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
GUSB P08236 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL5155596 0.86 SMPD1 (0.55) KMT2AGAAHSD17B10CYP4F2CYP4A11
SCHEMBL5157983 0.81 GAA (0.46) KMT2AGAAHSD17B10CYP4F2CYP4A11
SCHEMBL13333716 0.81 BCHE (0.41) KMT2AGAAHSD17B10CYP4F2CYP4A11
SCHEMBL2764944 0.81 CYP4F2 (0.45) KMT2ACYP4F2CYP4A11ATMSPHK2
SCHEMBL19382251 0.79 CYP4F2 (0.47) KMT2ACYP4F2CYP4A11SPHK2SPHK1
SCHEMBL9717443 0.77 GAA (0.77) KMT2AGAAHSD17B10SMPD1ATM
SCHEMBL5157580 0.77 GAA (0.46) KMT2AGAAHSD17B10SMPD1ATM
SCHEMBL13323833 0.76 HPGD (0.46) KMT2ACYP4F2CYP4A11ATMLMNA
SCHEMBL1880076 0.75 SPHK2 (0.52) CYP4F2CYP4A11SMPD1SPHK2SPHK1
SCHEMBL1880075 0.75 SPHK2 (0.52) CYP4F2CYP4A11SMPD1SPHK2SPHK1

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