SCHEMBL5366445

SCHEMBL5366445

CCCCCCCCCCCCCCC(CCC)OC(=O)c1cccc(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNLIP P16233 1/20 0.48
PRKCA P17252 2/20 0.47
PRKCD Q05655 2/20 0.47
PLA2G4B P0C869 2/20 0.46
ALDH1A1 P00352 1/20 0.46
PTPN11 Q06124 2/20 0.45
PLA2G4A P47712 1/20 0.44
LTB4R Q15722 1/20 0.44
PLA2G2A P14555 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 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
SCHEMBL5371929 1.00 PNLIP (0.48) PNLIPPRKCAPRKCDPLA2G4BALDH1A1
SCHEMBL5370846 1.00 PNLIP (0.48) PNLIPPRKCAPRKCDPLA2G4BALDH1A1
SCHEMBL5371926 0.97 PNLIP (0.50) PNLIPPRKCAPRKCDPLA2G4BALDH1A1
SCHEMBL5373223 0.97 PNLIP (0.50) PNLIPPRKCAPRKCDPLA2G4BALDH1A1
SCHEMBL4946368 0.97 PNLIP (0.50) PNLIPPRKCAPRKCDPLA2G4BALDH1A1
SCHEMBL4946354 0.97 PNLIP (0.50) PNLIPPRKCAPRKCDPLA2G4BALDH1A1
SCHEMBL5373219 0.97 PNLIP (0.50) PNLIPPRKCAPRKCDPLA2G4BALDH1A1
SCHEMBL4944955 0.97 PNLIP (0.50) PNLIPPRKCAPRKCDPLA2G4BALDH1A1
SCHEMBL5366439 0.97 PNLIP (0.50) PNLIPPRKCAPRKCDPLA2G4BALDH1A1
SCHEMBL5370840 0.97 PNLIP (0.50) PNLIPPRKCAPRKCDPLA2G4BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7208545-B1 Selected cyclohexane -1,3-and -1,4-dicarboxylic acid esters BASF AKTIENGESELLSCHAFT (DE) 2007-04-24 US claimed
EP-1194396-B1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AG (DE) 2005-11-09 EP claimed
US-7208545-B1 Selected cyclohexane -1,3-and -1,4-dicarboxylic acid esters BASF AKTIENGESELLSCHAFT (DE) 2007-04-24 US disclosed