SCHEMBL5159515

SCHEMBL5159515

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.48
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
TLR2 O60603 2/20 0.43
ASAH2 Q9NR71 1/20 0.41
ATM Q13315 1/20 0.41
NAMPT P43490 2/20 0.40
CYP24A1 Q07973 1/20 0.40
NAAA Q02083 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL5157580 0.87 GAA (0.46) SMPD1GAAKMT2AHSD17B10SMN1; SMN2
SCHEMBL5160107 0.86 KMT2A (0.42) SMPD1GAAKMT2AHSD17B10SMN1; SMN2
SCHEMBL5157915 0.85 GAA (0.44) SMPD1GAAKMT2AHSD17B10ATM
SCHEMBL5157370 0.84 KMT2A (0.43) SMPD1GAAKMT2AHSD17B10SMN1; SMN2
SCHEMBL20810480 0.83 SMN1; SMN2 (0.55) SMPD1KMT2ASMN1; SMN2NAAAL3MBTL1
SCHEMBL9508117 0.83 HDAC1 (0.56) SMPD1SMN1; SMN2
SCHEMBL20810490 0.83 SMN1; SMN2 (0.52) GAAKMT2AHSD17B10SMN1; SMN2NAMPT
SCHEMBL9508113 0.83 HDAC1 (0.56) SMPD1SMN1; SMN2
SCHEMBL13302517 0.81 CNR2 (0.48) SMN1; SMN2ASAH2ATM
SCHEMBL2764163 0.81 CNR2 (0.48) SMN1; SMN2ASAH2ATM

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