SCHEMBL5693545

SCHEMBL5693545

CC(C)CCCCCCCCc1cccc(C(=O)O)c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 7/20 0.51
MCL1 Q07820 7/20 0.51
BCL2L1 Q07817 6/20 0.51
BAK1 Q16611 6/20 0.51
PPARA Q07869 3/20 0.51
KAT8 Q9H7Z6 2/20 0.51
PPARG P37231 2/20 0.51
SAE1 Q9UBE0 2/20 0.51
EP300 Q09472 1/20 0.51
KAT2A Q92830 1/20 0.51
KAT2B Q92831 1/20 0.51
KAT5 Q92993 1/20 0.51
MMP2 P08253 2/20 0.45
F7 P08709 2/20 0.45
F3 P13726 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
ECE1 P42892 1/20 0.45
SGMS1 Q86VZ5 1/20 0.45

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
SCHEMBL5525480 1.00 BID (0.51) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL1403196 1.00 BID (0.51) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL5516982 1.00 BID (0.51) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL5520861 1.00 BID (0.51) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL5525483 1.00 BID (0.51) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL5521143 1.00 BID (0.51) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL5516277 1.00 BID (0.51) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL1682785 1.00 BID (0.51) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL1682784 1.00 BID (0.51) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL4322289 0.98 BID (0.49) BIDMCL1BCL2L1BAK1PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663940-A1 IMPROVEMENTS IN OR RELATING TO PHTHALATE PLASTICISER ESTERS ExxonMobil Chemical Patents Inc. (US) 2006-06-07 EP disclosed
EP-1664177-A1 USE OF ISONONYL BENZOATE AS A FILM-FORMING AGENT Oxeno Olefinchemie GmbH (DE) 2006-06-07 EP disclosed
EP-1527373-A1 METHOD FOR PRODUCING FLEXO PRINTING FORMS BY MEANS OF LASER DIRECT ENGRAVING XSYS Print Solutions Deutschland GmbH (DE) 2005-05-04 EP disclosed
WO-2005026249-A1 USE OF ISONONYL BENZOATE AS A FILM-FORMING AGENT OXENO OLEFINCHEMIE GMBH (DE) 2005-03-24 WO disclosed
WO-2005021482-A1 IMPROVEMENTS IN OR RELATING TO PHTHALATE PLASTICISER ESTERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-03-10 WO disclosed
WO-2003107092-A1 METHOD FOR PRODUCING FLEXO PRINTING FORMS BY MEANS OF LASER DIRECT ENGRAVING BASF DRUCKSYSTEME GMBH (DE) 2003-12-24 WO disclosed