SCHEMBL9673252

SCHEMBL9673252

CCOC(=O)CCOc1ccc(OCc2ccc3ccccc3n2)cc1C(OCC)c1ccc2c(c1)OC(c1nnn[nH]1)=CC2

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 9/20 0.44
CYSLTR2 Q9NS75 8/20 0.44
ALOX5AP P20292 4/20 0.42
GPBAR1 Q8TDU6 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
SCHEMBL9757136 0.79 CYSLTR1 (0.45) CYSLTR1CYSLTR2ALOX5AP
SCHEMBL9636819 0.74 ALOX5AP (0.42) CYSLTR1CYSLTR2ALOX5AP
SCHEMBL9635499 0.73 CYSLTR1 (0.40) CYSLTR1CYSLTR2ALOX5AP
SCHEMBL9635532 0.71 CYSLTR1 (0.40) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9637032 0.70 CYSLTR1 (0.46) CYSLTR1CYSLTR2ALOX5AP
SCHEMBL9757127 0.69 CYSLTR1 (0.46) CYSLTR1CYSLTR2ALOX5AP
SCHEMBL9635637 0.66 CYSLTR1 (0.37) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9757215 0.66 ALOX5AP (0.38) CYSLTR1CYSLTR2ALOX5APGPBAR1
SCHEMBL14021499 0.65 CYSLTR1 (1.00) CYSLTR1CYSLTR2ALOX5APGPBAR1
SCHEMBL10544504 0.64 CYSLTR1 (1.00) CYSLTR1CYSLTR2ALOX5APGPBAR1

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
EP-0434827-A4 QUINOLINYL-BENZOPYRAN DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? 1992-01-08 EP disclosed