SCHEMBL5366434

SCHEMBL5366434

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNLIP P16233 3/20 0.52
PRKCA P17252 2/20 0.51
PRKCD Q05655 2/20 0.51
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
MAPK10 P53779 1/20 0.41
SMPD1 P17405 3/20 0.41

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
SCHEMBL5371923 1.00 PNLIP (0.52) PNLIPPRKCAPRKCDALDH1A1MEN1
SCHEMBL5370836 1.00 PNLIP (0.52) PNLIPPRKCAPRKCDALDH1A1MEN1
SCHEMBL5373214 0.97 PNLIP (0.54) PNLIPPRKCAPRKCDALDH1A1MEN1
SCHEMBL5371929 0.95 PNLIP (0.48) PNLIPPRKCAPRKCDALDH1A1
SCHEMBL5366445 0.95 PNLIP (0.48) PNLIPPRKCAPRKCDALDH1A1
SCHEMBL5370846 0.95 PNLIP (0.48) PNLIPPRKCAPRKCDALDH1A1
SCHEMBL14396053 0.92 PNLIP (0.48) PNLIPPRKCAPRKCDALDH1A1MEN1
SCHEMBL5366439 0.92 PNLIP (0.50) PNLIPPRKCAPRKCDALDH1A1KMT2A
SCHEMBL4946354 0.92 PNLIP (0.50) PNLIPPRKCAPRKCDALDH1A1KMT2A
SCHEMBL5371926 0.92 PNLIP (0.50) PNLIPPRKCAPRKCDALDH1A1KMT2A

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