SCHEMBL7613779

SCHEMBL7613779

CCCCC=C(C)C(=O)OC(=O)C(C)=CCCO

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.36
GRIK1 P39086 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
F7 P08709 1/20 0.32
F3 P13726 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
PPARG P37231 8/20 0.31
PPARA Q07869 2/20 0.31
TRPA1 O75762 1/20 0.31
FBP1 P09467 1/20 0.31
MGLL Q99685 1/20 0.31

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
SCHEMBL7754867 0.92 EP300 (0.41) EP300GRIK1ALDH1A1TSHRF7
SCHEMBL5459895 0.89 EP300 (0.47) EP300F7F3CYP2C19PPARG
SCHEMBL15251310 0.87 EP300 (0.50) EP300TSHRF7F3CYP2C19
SCHEMBL5461045 0.87 EP300 (0.37) EP300GRIK1ALDH1A1TSHRF7
SCHEMBL1001904 0.87 EP300 (0.37) EP300GRIK1ALDH1A1TSHRF7
SCHEMBL8865369 0.85 ALDH1A1 (0.39) EP300GRIK1ALDH1A1TSHRF7
SCHEMBL9242927 0.85 EP300 (0.52) EP300TSHRF7F3CYP2C19
SCHEMBL14890135 0.85 EP300 (0.52) EP300TSHRF7F3CYP2C19
SCHEMBL3433546 0.85 EP300 (0.52) EP300TSHRF7F3CYP2C19
SCHEMBL3437706 0.85 EP300 (0.52) EP300TSHRF7F3CYP2C19

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