SCHEMBL9635557

SCHEMBL9635557

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

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 7/20 0.51
CYSLTR1 Q9Y271 7/20 0.51
MAOB P27338 5/20 0.49
ALOX5 P09917 1/20 0.47

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
SCHEMBL9636955 0.87 CYSLTR2 (0.54) CYSLTR2CYSLTR1MAOBALOX5
SCHEMBL9635641 0.85 CYSLTR2 (0.53) CYSLTR2CYSLTR1MAOBALOX5
SCHEMBL9635552 0.84 CYSLTR2 (0.54) CYSLTR2CYSLTR1MAOBALOX5
SCHEMBL9757177 0.82 CYSLTR1 (0.50) CYSLTR2CYSLTR1ALOX5
SCHEMBL9757154 0.75 CYSLTR1 (0.51) CYSLTR2CYSLTR1ALOX5
SCHEMBL9757185 0.74 CYSLTR1 (0.54) CYSLTR2CYSLTR1ALOX5
SCHEMBL10544491 0.73 CYSLTR1 (0.66) CYSLTR2CYSLTR1
SCHEMBL9635626 0.72 KDM4E (0.56) MAOB
SCHEMBL7714576 0.70 CYSLTR1 (0.64) CYSLTR2CYSLTR1ALOX5
SCHEMBL6088547 0.70 CYSLTR1 (0.66) 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 4 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-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