SCHEMBL9636922

SCHEMBL9636922

N#CC1=CCc2ccc(COCC3(OCc4ccc5ccccc5n4)C=CC(OCCC(=O)O)=CC3)cc2O1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.35
AKR1B1 P15121 1/20 0.35
CYSLTR1 Q9Y271 14/20 0.34
CYSLTR2 Q9NS75 11/20 0.34
ALOX5AP P20292 1/20 0.32

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
SCHEMBL9757265 0.85 FFAR1 (0.37) FFAR1AKR1B1CYSLTR1CYSLTR2
SCHEMBL9636824 0.78 CYSLTR1 (0.45) FFAR1AKR1B1CYSLTR1CYSLTR2ALOX5AP
SCHEMBL9637032 0.72 CYSLTR1 (0.46) CYSLTR1CYSLTR2ALOX5AP
SCHEMBL9636918 0.71 CYSLTR2 (0.33) CYSLTR1CYSLTR2ALOX5AP
SCHEMBL9636819 0.71 ALOX5AP (0.42) FFAR1AKR1B1CYSLTR1CYSLTR2ALOX5AP
SCHEMBL9760912 0.60 CYSLTR1 (0.48) FFAR1AKR1B1CYSLTR1CYSLTR2
SCHEMBL7751111 0.55 CYSLTR1 (0.41) FFAR1AKR1B1CYSLTR1CYSLTR2ALOX5AP
SCHEMBL8649544 0.54 FFAR1 (0.97) FFAR1AKR1B1CYSLTR1CYSLTR2
SCHEMBL10545819 0.54 CYSLTR1 (1.00) FFAR1AKR1B1CYSLTR1CYSLTR2
SCHEMBL14021495 0.54 CYSLTR1 (1.00) FFAR1AKR1B1CYSLTR1CYSLTR2

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