SCHEMBL6882280

SCHEMBL6882280

CCCCCCCC(CCC(C)O)c1ccccc1C=O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.43
CYSLTR1 Q9Y271 3/20 0.43
PPARG P37231 2/20 0.37
CSNK1E P49674 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CNR2 P34972 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL9017707 0.94 CYSLTR2 (0.39) CYSLTR2CYSLTR1ALDH1A1CNR2TDP1
SCHEMBL1332960 0.87 CYSLTR2 (0.45) CYSLTR2CYSLTR1PPARGCSNK1EALDH1A1
SCHEMBL2284723 0.84 CYSLTR2 (0.39) CYSLTR2CYSLTR1PPARGCSNK1EALDH1A1
SCHEMBL490156 0.82 ALDH1A1 (0.40) CYSLTR2CYSLTR1PPARGALDH1A1
SCHEMBL9857565 0.81 CYSLTR2 (0.40) CYSLTR2CYSLTR1PPARGTDP1
SCHEMBL1880780 0.81 CYSLTR2 (0.40) CYSLTR2CYSLTR1ALDH1A1CNR2TDP1
SCHEMBL8082979 0.81 PPARG (0.45) CYSLTR2CYSLTR1PPARGCSNK1EALDH1A1
SCHEMBL489761 0.81 ALDH1A1 (0.39) CYSLTR2CYSLTR1PPARGALDH1A1
SCHEMBL489432 0.81 ALDH1A1 (0.39) CYSLTR2CYSLTR1PPARGALDH1A1TDP1
SCHEMBL6683043 0.80 ADH1B (0.39) CYSLTR2CYSLTR1PPARGCSNK1EALDH1A1

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
EP-1440130-A1 OXIDATIVELY DRYING COATING COMPOSITION Akzo Nobel Coatings International B.V. (NL) 2004-07-28 EP disclosed
US-20030096893-A1 Can form metal complex having a catalytic effect on the curing of oxidatively drying polymers, in particular alkyd resins AKZO NOBEL N.V. (NL) 2003-05-22 US disclosed
WO-2003029371-A1 OXIDATIVELY DRYING COATING COMPOSITION AKZO NOBEL COATINGS INTERNATIONAL B.V. (NL) 2003-04-10 WO disclosed