SCHEMBL7820115

SCHEMBL7820115

CC(=O)c1ccc(OCCCCCCCCCCC(=O)O)cc1.N#CCC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.60
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
PPARA Q07869 3/20 0.55
MAOB P27338 2/20 0.50
PLA2G4B P0C869 3/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
ALB P02768 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MMP2 P08253 1/20 0.45

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
SCHEMBL7568345 0.89 GAA (0.80) GAAL3MBTL1ALDH1A1MAPTPPARA
SCHEMBL13348918 0.89 GAA (0.80) GAAL3MBTL1ALDH1A1MAPTPPARA
SCHEMBL2213052 0.87 L3MBTL1 (0.79) GAAL3MBTL1ALDH1A1MAPTPPARA
SCHEMBL445511 0.83 L3MBTL1 (0.76) GAAL3MBTL1ALDH1A1MAPTPPARA
SCHEMBL2816619 0.79 ALDH1A1 (0.88) GAAL3MBTL1ALDH1A1MAPTMAOB
SCHEMBL15887752 0.78 GAA (0.83) GAAL3MBTL1ALDH1A1MAPTPPARA
SCHEMBL2213697 0.78 L3MBTL1 (0.72) GAAL3MBTL1ALDH1A1MAPTPPARA
SCHEMBL21073528 0.78 PPARA (0.71) GAAL3MBTL1PPARAPLA2G4BALB
SCHEMBL18868405 0.78 L3MBTL1 (1.00) GAAL3MBTL1ALDH1A1MAPTMAOB
SCHEMBL31448424 0.78 PPARA (0.71) GAAL3MBTL1PPARAPLA2G4BALB

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-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed