SCHEMBL9545182

SCHEMBL9545182

CCCCCCCCCCCCCCCCCCSC[C@H](NC(C)=O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICMT O60725 1/20 0.53
MAPT P10636 3/20 0.51
CES2 O00748 3/20 0.51
THRB P10828 2/20 0.51
BLM P54132 2/20 0.51
GMNN O75496 1/20 0.51
TP53 P04637 1/20 0.51
POLB P06746 1/20 0.51
CYP2C9 P11712 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NOD1 Q9Y239 1/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.44
PTGS2 P35354 1/20 0.44
THPO P40225 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FAAH O00519 4/20 0.42

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
SCHEMBL9545188 1.00 ICMT (0.53) ICMTMAPTCES2THRBBLM
SCHEMBL9119016 1.00 ICMT (0.53) ICMTMAPTCES2THRBBLM
SCHEMBL19927710 1.00 ICMT (0.53) ICMTMAPTCES2THRBBLM
SCHEMBL9117736 1.00 ICMT (0.53) ICMTMAPTCES2THRBBLM
SCHEMBL19927712 1.00 ICMT (0.53) ICMTMAPTCES2THRBBLM
SCHEMBL4953347 0.93 ICMT (0.49) ICMTMAPTCES2THRBBLM
SCHEMBL23117309 0.92 ICMT (0.50) ICMTMAPTCES2THRBBLM
SCHEMBL9275572 0.92 ICMT (0.50) ICMTMAPTCES2THRBBLM
SCHEMBL23117307 0.92 ICMT (0.50) ICMTMAPTCES2THRBBLM
SCHEMBL9275581 0.92 ICMT (0.50) ICMTMAPTCES2THRBBLM

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-1993021211-A1 AMIDES HAVING INHIBITING ACTIVITY ON PHOSPHOLIPASE A2, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LABORATORIOS MENARINI S.A. (ES) 1993-10-28 WO disclosed