SCHEMBL6584520

SCHEMBL6584520

O=C(O)C(Oc1c(Cl)cccc1COc1ccc(OCc2ccc3ccccc3n2)cc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.53
CYSLTR1 Q9Y271 10/20 0.52
CYSLTR2 Q9NS75 8/20 0.52
ALOX5 P09917 3/20 0.51
HDAC6 Q9UBN7 1/20 0.51
FFAR1 O14842 1/20 0.49
AKR1B1 P15121 1/20 0.49
ALOX5AP P20292 1/20 0.47
PDE10A Q9Y233 1/20 0.46

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
SCHEMBL6583639 0.94 CYSLTR1 (0.54) GPBAR1CYSLTR1CYSLTR2ALOX5
SCHEMBL6583516 0.87 GPBAR1 (0.54) GPBAR1CYSLTR1CYSLTR2ALOX5HDAC6
SCHEMBL6583908 0.85 GPBAR1 (0.58) GPBAR1CYSLTR1CYSLTR2ALOX5HDAC6
SCHEMBL6088287 0.84 CYSLTR2 (0.53) GPBAR1CYSLTR1CYSLTR2ALOX5HDAC6
SCHEMBL6089710 0.84 GPBAR1 (0.50) GPBAR1CYSLTR1CYSLTR2ALOX5HDAC6
SCHEMBL6587609 0.83 GPBAR1 (0.58) GPBAR1CYSLTR1CYSLTR2ALOX5FFAR1
SCHEMBL6585772 0.82 GPBAR1 (0.52) GPBAR1CYSLTR1CYSLTR2ALOX5HDAC6
SCHEMBL6584092 0.82 CYSLTR1 (0.58) GPBAR1CYSLTR1CYSLTR2
SCHEMBL6091833 0.79 CYSLTR1 (0.54) GPBAR1CYSLTR1CYSLTR2ALOX5
SCHEMBL6088437 0.79 CYSLTR1 (0.54) GPBAR1CYSLTR1CYSLTR2

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