SCHEMBL7993471

SCHEMBL7993471

CC(=O)NC(CN1CCCC1)C(C)c1ccc2c(c1)OCCO2

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 7/20 0.58
PTGS1 P23219 2/20 0.58
HTR1A P08908 1/20 0.58
OPRM1 P35372 1/20 0.58
HTT P42858 3/20 0.47
PTGS2 P35354 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MCL1 Q07820 1/20 0.47
ACACB O00763 6/20 0.46
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL1088846 0.90 UGCG (0.71) UGCGPTGS1HTR1AOPRM1HTT
SCHEMBL13081778 0.90 UGCG (0.71) UGCGPTGS1HTR1AOPRM1HTT
SCHEMBL14069053 0.90 UGCG (0.71) UGCGPTGS1HTR1AOPRM1HTT
SCHEMBL1088358 0.90 UGCG (0.71) UGCGPTGS1HTR1AOPRM1HTT
SCHEMBL25797566 0.85 UGCG (0.53) UGCGPTGS1HTR1AOPRM1HTT
SCHEMBL20215543 0.85 UGCG (0.53) UGCGPTGS1HTR1AOPRM1HTT
SCHEMBL7923172 0.84 UGCG (0.58) UGCGPTGS1HTR1AOPRM1PTGS2
SCHEMBL14668855 0.84 UGCG (0.51) UGCGPTGS1HTR1AOPRM1HTT
SCHEMBL20215544 0.83 UGCG (0.52) UGCGPTGS1HTR1AOPRM1HTT
SCHEMBL20214902 0.83 UGCG (0.84) UGCGPTGS1HTR1AOPRM1HTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009117150-A2 METHOD OF TREATING LUPUS WITH CERAMIDE DERIVATIVES GENZYME CORPORATION (US) 2009-09-24 WO disclosed