SCHEMBL9636955

SCHEMBL9636955

CC1(CCC(=O)O)CC(=O)c2ccc(OCc3cccc(OCc4ccc5ccccc5n4)c3)cc2O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 7/20 0.54
CYSLTR1 Q9Y271 7/20 0.54
MAOB P27338 5/20 0.51
ALOX5 P09917 1/20 0.49

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
SCHEMBL9635552 0.91 CYSLTR2 (0.54) CYSLTR2CYSLTR1MAOBALOX5
SCHEMBL9635557 0.87 CYSLTR2 (0.51) CYSLTR2CYSLTR1MAOBALOX5
SCHEMBL9635641 0.84 CYSLTR2 (0.53) CYSLTR2CYSLTR1MAOBALOX5
SCHEMBL9656045 0.73 CYSLTR1 (0.85) CYSLTR2CYSLTR1ALOX5
SCHEMBL9757185 0.73 CYSLTR1 (0.54) CYSLTR2CYSLTR1ALOX5
SCHEMBL7454187 0.73 CYSLTR1 (0.77) CYSLTR2CYSLTR1ALOX5
SCHEMBL9022221 0.73 CYSLTR1 (0.67) CYSLTR2CYSLTR1ALOX5
SCHEMBL6088484 0.72 CYSLTR1 (0.69) CYSLTR2CYSLTR1ALOX5
SCHEMBL7714576 0.72 CYSLTR1 (0.64) CYSLTR2CYSLTR1ALOX5
SCHEMBL9757091 0.72 CYSLTR1 (0.56) CYSLTR2CYSLTR1ALOX5

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