SCHEMBL5157983

SCHEMBL5157983

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALOX5 P09917 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
SMPD1 P17405 1/20 0.40
HDAC1 Q13547 3/20 0.40
TBXAS1 P24557 2/20 0.40
ATM Q13315 1/20 0.40
SPHK2 Q9NRA0 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
LMNA P02545 1/20 0.39
HDAC6 Q9UBN7 2/20 0.38
KDM4A O75164 1/20 0.38
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
PHF8 Q9UPP1 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
DAGLA Q9Y4D2 2/20 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
SCHEMBL20810373 0.86 HDAC1 (0.52) ALOX5CYP4F2CYP4A11HDAC1TBXAS1
SCHEMBL5155596 0.84 SMPD1 (0.55) GAAKMT2AHSD17B10CYP4F2CYP4A11
SCHEMBL20810595 0.84 ALOX5 (0.41) ALOX5CYP4F2CYP4A11HDAC1TBXAS1
SCHEMBL20810487 0.84 ALOX5 (0.46) ALOX5CYP4F2CYP4A11HDAC1TBXAS1
SCHEMBL20810326 0.84 ALOX5 (0.46) ALOX5CYP4F2CYP4A11HDAC1TBXAS1
SCHEMBL18020999 0.84 ALOX5 (0.46) ALOX5CYP4F2CYP4A11HDAC1TBXAS1
SCHEMBL20810288 0.82 ALOX5 (0.47) ALOX5CYP4F2CYP4A11HDAC1LMNA
SCHEMBL17049469 0.82 CYP4F2 (0.43) KMT2AALOX5CYP4F2CYP4A11ATM
SCHEMBL20810303 0.82 MAPK1 (0.47) GAAALOX5CYP4F2CYP4A11HDAC1
SCHEMBL16800026 0.82 GPR132 (0.45) KMT2AALOX5CYP4F2CYP4A11HDAC1

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