SCHEMBL7607596

SCHEMBL7607596

C=C(CCCC)C(=O)O.CC/C=C(\O)C(=O)O.CCC/C=C(\O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.36
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32
TERT O14746 3/20 0.32
PTPN1 P18031 3/20 0.32
PPARG P37231 3/20 0.32
PPARD Q03181 3/20 0.32
PPARA Q07869 3/20 0.32
HSD17B10 Q99714 3/20 0.32
TOP1 P11387 3/20 0.32
MAPT P10636 2/20 0.32
BLM P54132 2/20 0.32
FABP4 P15090 2/20 0.32
F7 P08709 2/20 0.32
F3 P13726 2/20 0.32
ALOX15 P16050 2/20 0.32

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
SCHEMBL8751910 0.85 EP300 (0.33) EP300FNTAFNTBGRIK1GRIK2
SCHEMBL6048309 0.82 GRIK1 (0.41) EP300GRIK1GRIK2PPARGMAPT
SCHEMBL3458518 0.81 GRIK1 (0.34) EP300GRIK1GRIK2
SCHEMBL10527175 0.80 FNTA (0.38) EP300FNTAFNTBCES2CES1
SCHEMBL10527163 0.80 FNTA (0.38) EP300FNTAFNTBCES2CES1
SCHEMBL6916130 0.78 CES1 (0.50) FNTAFNTBCES2CES1PTPN1
SCHEMBL22623 0.78
SCHEMBL8350927 0.78 FNTA (0.38) EP300FNTAFNTBCES2CES1
SCHEMBL7758808 0.78 ALOX15 (0.35) GRIK1GRIK2HSD17B10ALOX15
Acrylic Acid SCHEMBL2126766 0.77 ALOX15 (0.52) FNTAFNTBCES2CES1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1232212-A1 COMPOSITION AND METHOD FOR COLOR IMPROVEMENT OF NITROXYL CONTAINING POLYMERS Ciba SC Holding AG (CH) 2002-08-21 EP disclosed
WO-2001038431-A1 COMPOSITION AND METHOD FOR COLOR IMPROVEMENT OF NITROXYL CONTAINING POLYMERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-05-31 WO disclosed