SCHEMBL5160107

SCHEMBL5160107

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ATM Q13315 1/20 0.37
CYP24A1 Q07973 2/20 0.37
NAMPT P43490 2/20 0.37
HDAC1 Q13547 2/20 0.36
HDAC8 Q9BY41 1/20 0.36
SMPD1 P17405 1/20 0.36
PRMT5 O14744 2/20 0.35
WDR77 Q9BQA1 1/20 0.35
SOAT1 P35610 1/20 0.35
HDAC3 O15379 1/20 0.34
TBXAS1 P24557 1/20 0.34
FAAH O00519 1/20 0.34
CNR2 P34972 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL5157370 0.97 KMT2A (0.43) KMT2AGAAHSD17B10ATMCYP24A1
SCHEMBL5159515 0.86 SMPD1 (0.48) KMT2AGAAHSD17B10ATMCYP24A1
SCHEMBL16799903 0.84 SMN1; SMN2 (0.41) KMT2AHSD17B10HDAC1HDAC8HDAC3
SCHEMBL17977261 0.84 SMN1; SMN2 (0.41) KMT2AHSD17B10HDAC1HDAC8HDAC3
SCHEMBL16799902 0.84 SMN1; SMN2 (0.41) KMT2AHSD17B10HDAC1HDAC8HDAC3
SCHEMBL20810547 0.84 SMN1; SMN2 (0.40) KMT2AGAAHSD17B10NAMPTHDAC1
SCHEMBL2764775 0.83 ATM (0.37) ATMHDAC1CNR2
SCHEMBL2764772 0.83 ATM (0.37) ATMHDAC1CNR2
SCHEMBL2623655 0.83 ATM (0.37) ATMHDAC1CNR2
SCHEMBL5157915 0.83 GAA (0.44) KMT2AGAAHSD17B10ATMCYP24A1

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