SCHEMBL5155596

SCHEMBL5155596

CCCCCCCc1cccc(C(=O)NCC(C)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 2/20 0.55
SPHK2 Q9NRA0 1/20 0.54
SPHK1 Q9NYA1 1/20 0.54
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
MAP1LC3B Q9GZQ8 1/20 0.46
MAP1LC3A Q9H492 1/20 0.46
NAAA Q02083 1/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
S1PR1 P21453 4/20 0.45
S1PR4 O95977 2/20 0.45
S1PR5 Q9H228 2/20 0.45
LPL P06858 1/20 0.45
LIPG Q9Y5X9 1/20 0.45
S1PR3 Q99500 1/20 0.44

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
SCHEMBL5157774 0.86 KMT2A (0.48) SMPD1SPHK2SPHK1GAAKMT2A
SCHEMBL20810289 0.85 SPHK2 (0.59) SMPD1SPHK2SPHK1SMN1; SMN2MAP1LC3B
SCHEMBL5157983 0.84 GAA (0.46) SMPD1SPHK2SPHK1GAAKMT2A
SCHEMBL20810312 0.82 PPARA (0.56) SMPD1SPHK2SPHK1SMN1; SMN2MAP1LC3B
SCHEMBL29013699 0.81 SMPD1 (0.67) SMPD1SPHK2SPHK1SMN1; SMN2MAP1LC3B
SCHEMBL15173985 0.81 SPHK2 (0.64) SMPD1SPHK2SPHK1SMN1; SMN2MAP1LC3B
SCHEMBL15174533 0.81 SPHK2 (0.64) SMPD1SPHK2SPHK1SMN1; SMN2MAP1LC3B
SCHEMBL9717443 0.80 GAA (0.77) SMPD1GAAKMT2AHSD17B10SMN1; SMN2
SCHEMBL1880076 0.80 SPHK2 (0.52) SMPD1SPHK2SPHK1MAP1LC3BMAP1LC3A
SCHEMBL1880075 0.80 SPHK2 (0.52) SMPD1SPHK2SPHK1MAP1LC3BMAP1LC3A

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