SCHEMBL6583883

SCHEMBL6583883

CC(C)CC(Oc1ccc(Cl)cc1COc1cccc(OCc2ccc3ccccc3n2)c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 13/20 0.53
GPBAR1 Q8TDU6 6/20 0.53
CYSLTR2 Q9NS75 9/20 0.53

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
SCHEMBL6587664 0.95 GPBAR1 (0.49) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6583803 0.90 CYSLTR1 (0.58) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6090022 0.90 CYSLTR1 (0.53) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6089445 0.89 CYSLTR1 (0.57) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6088437 0.85 CYSLTR1 (0.54) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6587628 0.85 CYSLTR1 (0.53) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6089826 0.84 CYSLTR2 (0.52) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6091889 0.84 GPBAR1 (0.53) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6585862 0.82 CYSLTR1 (0.60) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6089710 0.80 GPBAR1 (0.50) CYSLTR1GPBAR1CYSLTR2

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
EP-0784052-B1 Quinoline derivatives as antagonists of leukotriene d4, compositions containing the same and processes for their preparation AVENTIS HOLDINGS INC (US) 2004-09-01 EP disclosed
EP-0784052-A1 Quinoline derivatives as antagonists of leukotriene d4, compositions containing the same and processes for their preparation RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1997-07-16 EP disclosed
WO-1989012628-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-12-28 WO disclosed
EP-0348155-A1 Quinoline derivatives as antagonists of leukotriene D4, compositions containing the same and processes for their preparation RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1989-12-27 EP disclosed