SCHEMBL5157370

SCHEMBL5157370

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ATM Q13315 2/20 0.38
CYP24A1 Q07973 3/20 0.38
NAMPT P43490 2/20 0.38
SMPD1 P17405 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PRMT5 O14744 2/20 0.34
WDR77 Q9BQA1 1/20 0.34
ACSS2 Q9NR19 2/20 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
SCHEMBL5160107 0.97 KMT2A (0.42) KMT2AGAAHSD17B10ATMCYP24A1
SCHEMBL20810547 0.87 SMN1; SMN2 (0.40) KMT2AGAAHSD17B10NAMPTHDAC3
SCHEMBL5157915 0.86 GAA (0.44) KMT2AGAAHSD17B10ATMCYP24A1
SCHEMBL20810506 0.85 ASAH2 (0.36) KMT2AGAAHSD17B10ATMHDAC3
SCHEMBL16799902 0.85 SMN1; SMN2 (0.41) KMT2AHSD17B10HDAC3HDAC1SMN1; SMN2
SCHEMBL16799903 0.85 SMN1; SMN2 (0.41) KMT2AHSD17B10HDAC3HDAC1SMN1; SMN2
SCHEMBL17977261 0.85 SMN1; SMN2 (0.41) KMT2AHSD17B10HDAC3HDAC1SMN1; SMN2
SCHEMBL5159515 0.84 SMPD1 (0.48) KMT2AGAAHSD17B10ATMCYP24A1
SCHEMBL2623654 0.84 SMN1; SMN2 (0.40) KMT2ANAMPTHDAC3HDAC1SMN1; SMN2
SCHEMBL16799707 0.84 LMNA (0.42) KMT2ANAMPTHDAC3HDAC1SMN1; 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