SCHEMBL9637032

SCHEMBL9637032

CCOC(=O)CCOc1ccc(OCc2ccc3ccccc3n2)cc1COCc1ccc2c(c1)OC(C#N)=CC2

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 6/20 0.46
CYSLTR2 Q9NS75 3/20 0.46
ALOX5AP P20292 2/20 0.45
PPARG P37231 2/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
ALOX5 P09917 2/20 0.37

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
SCHEMBL9636824 0.91 CYSLTR1 (0.45) CYSLTR1CYSLTR2ALOX5AP
SCHEMBL9757103 0.82 CYSLTR1 (0.49) CYSLTR1CYSLTR2ALOX5APPPARGPPARD
SCHEMBL9636819 0.76 ALOX5AP (0.42) CYSLTR1CYSLTR2ALOX5AP
SCHEMBL9757127 0.73 CYSLTR1 (0.46) CYSLTR1CYSLTR2ALOX5APPPARGPPARD
SCHEMBL9760912 0.72 CYSLTR1 (0.48) CYSLTR1CYSLTR2PPARG
SCHEMBL9636922 0.72 FFAR1 (0.35) CYSLTR1CYSLTR2ALOX5AP
SCHEMBL9635499 0.71 CYSLTR1 (0.40) CYSLTR1CYSLTR2ALOX5APPPARG
SCHEMBL9635532 0.70 CYSLTR1 (0.40) CYSLTR1CYSLTR2
SCHEMBL9673252 0.70 CYSLTR1 (0.44) CYSLTR1CYSLTR2ALOX5AP
SCHEMBL14021499 0.66 CYSLTR1 (1.00) CYSLTR1CYSLTR2ALOX5APALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5082849-A Antiinflammatory agents or antiallergens AVENTIS PHARMACEUTICALS INC. 1992-01-21 US disclosed
EP-0434827-A4 QUINOLINYL-BENZOPYRAN DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? 1992-01-08 EP disclosed
EP-0434827-A1 QUINOLINYL-BENZOPYRAN DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? RORER INTERNATIONAL (HOLDINGS), INC. (US) 1991-07-03 EP disclosed
WO-1991001123-A2 QUINOLINYL-BENZOPYRAN DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D¿4? RORER INTERNATIONAL (OVERSEAS) INC. (US) 1991-02-07 WO disclosed
US-4977162-A Quinolinyl-chromone derivatives and use for treatment of hypersensitive ailments RORER PHARMACEUTICAL CORPORATION (US) 1990-12-11 US disclosed