SCHEMBL7687656

SCHEMBL7687656

CCCCCCCCCCOCCOCC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.55
MEN1 O00255 1/20 0.48
THRB P10828 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 1/20 0.48
NAAA Q02083 1/20 0.43
PLA2G4B P0C869 3/20 0.40
DGKA P23743 1/20 0.39
CES1 P23141 1/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
RAD52 P43351 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EPHX1 P07099 1/20 0.37
FAAH O00519 1/20 0.37

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
SCHEMBL17946910 0.97 CES2 (0.55) CES2MEN1THRBHTTKMT2A
SCHEMBL8509415 0.96 CES2 (0.58) CES2MEN1THRBHTTKMT2A
SCHEMBL17947466 0.96 CES2 (0.58) CES2MEN1THRBHTTKMT2A
SCHEMBL17946904 0.95 CES2 (0.52) CES2MEN1THRBHTTKMT2A
SCHEMBL13182495 0.95 CES2 (0.52) CES2MEN1THRBHTTKMT2A
SCHEMBL17951967 0.95 CES2 (0.52) CES2MEN1THRBHTTKMT2A
SCHEMBL17946938 0.95 CES2 (0.55) CES2MEN1THRBHTTKMT2A
SCHEMBL17947432 0.93 CES2 (0.49) CES2MEN1THRBHTTKMT2A
SCHEMBL9660288 0.93 CES2 (0.44) CES2MEN1THRBHTTKMT2A
SCHEMBL20129293 0.93 CES2 (0.44) CES2MEN1THRBHTTKMT2A

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
EP-1017684-B1 CONTRASTING AGENT FOR INFARCT AND NECROSIS IMAGING SCHERING AG (DE) 2002-11-20 EP disclosed