SCHEMBL7999211

SCHEMBL7999211

COc1ccc([C@H](O)[C@@H](CN2CCCC2)NC(=O)CCCCCC(C)=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 16/20 0.66
HTR1A P08908 1/20 0.56
PTGS1 P23219 1/20 0.56
OPRM1 P35372 1/20 0.56
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
NFKB1 P19838 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP2C19 P33261 1/20 0.53
HIF1A Q16665 1/20 0.53
MAPT P10636 1/20 0.53
MTOR P42345 1/20 0.53
GMNN O75496 1/20 0.52
LMNA P02545 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52

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
SCHEMBL12406950 1.00 UGCG (0.66) UGCGHTR1APTGS1OPRM1MEN1
SCHEMBL13493071 1.00 UGCG (0.66) UGCGHTR1APTGS1OPRM1MEN1
SCHEMBL1373500 0.92 UGCG (0.79) UGCGHTR1APTGS1OPRM1MEN1
SCHEMBL12088025 0.92 UGCG (0.79) UGCGHTR1APTGS1OPRM1MEN1
SCHEMBL7926312 0.92 UGCG (0.79) UGCGHTR1APTGS1OPRM1MEN1
SCHEMBL1085010 0.92 UGCG (0.79) UGCGHTR1APTGS1OPRM1MEN1
SCHEMBL3748105 0.92 UGCG (0.79) UGCGHTR1APTGS1OPRM1MEN1
SCHEMBL1809813 0.90 UGCG (0.64) UGCGHTR1APTGS1OPRM1MEN1
SCHEMBL7931481 0.90 UGCG (0.64) UGCGHTR1APTGS1OPRM1MEN1
SCHEMBL12406938 0.89 UGCG (0.62) UGCGHTR1APTGS1OPRM1MEN1

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
WO-2009117150-A2 METHOD OF TREATING LUPUS WITH CERAMIDE DERIVATIVES GENZYME CORPORATION (US) 2009-09-24 WO disclosed
WO-2008150486-A2 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2008-12-11 WO disclosed