SCHEMBL6583704

SCHEMBL6583704

O=C(O)COc1ccc(Cl)cc1COc1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.57
CYSLTR1 Q9Y271 10/20 0.56
CYSLTR2 Q9NS75 8/20 0.56
FFAR1 O14842 1/20 0.55
AKR1B1 P15121 1/20 0.55
ALOX5AP P20292 5/20 0.52
ALOX5 P09917 2/20 0.52
MAPT P10636 1/20 0.50

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
SCHEMBL6585862 0.94 CYSLTR1 (0.60) GPBAR1CYSLTR1CYSLTR2ALOX5APMAPT
SCHEMBL6090953 0.87 GPBAR1 (0.64) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL6584582 0.86 CYSLTR1 (0.63) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL6091889 0.84 GPBAR1 (0.53) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL6585772 0.83 GPBAR1 (0.52) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL6089814 0.82 CYSLTR1 (0.65) GPBAR1CYSLTR1CYSLTR2MAPT
SCHEMBL6587664 0.81 GPBAR1 (0.49) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL6089826 0.81 CYSLTR2 (0.52) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL6587609 0.80 GPBAR1 (0.58) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL6088569 0.79 FFAR1 (0.73) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1

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