SCHEMBL9796286

SCHEMBL9796286

CCCCCCC(OC(C)=O)c1cccc(CBr)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.37
CYSLTR1 Q9Y271 3/20 0.37
PPARG P37231 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PPARA Q07869 1/20 0.36
LTB4R Q15722 1/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL9796301 0.99 CNR2 (0.36) CYSLTR2CYSLTR1ALDH1A1LTB4RCNR2
SCHEMBL9795950 0.95 PRKCA (0.36) PPARGPPARAPTGESALOX5CNR2
SCHEMBL15155229 0.89 PRKCA (0.40) CYSLTR2CYSLTR1PPARGALDH1A1PPARA
SCHEMBL15155209 0.89 PRKCA (0.40) CYSLTR2CYSLTR1PPARGALDH1A1PPARA
SCHEMBL15155815 0.89 PRKCA (0.40) CYSLTR2CYSLTR1PPARGALDH1A1PPARA
SCHEMBL9796233 0.88 CNR2 (0.36) CYSLTR2CYSLTR1PPARGPPARACNR2
SCHEMBL9796345 0.83 ALDH1A1 (0.40) ALDH1A1LTB4R
SCHEMBL5046764 0.83 LTA4H (0.38) CYSLTR2CYSLTR1ALDH1A1CNR2
SCHEMBL9796152 0.82 AOC3 (0.40) PPARGALDH1A1PPARAALOX5
SCHEMBL9340624 0.81 ALDH1A1 (0.49) ALDH1A1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5006534-A Substituted ethers, thioethers and amines for use as lipoxygenase inhibitors BAYER AKTIENGESELLSCHAFT (DE) 1991-04-09 US disclosed