SCHEMBL6587664

SCHEMBL6587664

CC(C)CC(Oc1ccc(Cl)cc1COc1ccc(OCc2ccc3ccccc3n2)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.49
CYSLTR1 Q9Y271 8/20 0.48
CYSLTR2 Q9NS75 6/20 0.48
ALOX5 P09917 5/20 0.47
ALOX5AP P20292 2/20 0.47
FFAR1 O14842 1/20 0.46
AKR1B1 P15121 1/20 0.46
ADAMTS4 O75173 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PDE10A Q9Y233 2/20 0.46
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45

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
SCHEMBL6583883 0.95 CYSLTR1 (0.53) GPBAR1CYSLTR1CYSLTR2
SCHEMBL6089826 0.89 CYSLTR2 (0.52) GPBAR1CYSLTR1CYSLTR2ALOX5ALOX5AP
SCHEMBL6091889 0.89 GPBAR1 (0.53) GPBAR1CYSLTR1CYSLTR2ALOX5ALOX5AP
SCHEMBL6583803 0.84 CYSLTR1 (0.58) GPBAR1CYSLTR1CYSLTR2
SCHEMBL6585772 0.84 GPBAR1 (0.52) GPBAR1CYSLTR1CYSLTR2ALOX5ALOX5AP
SCHEMBL6090022 0.84 CYSLTR1 (0.53) GPBAR1CYSLTR1CYSLTR2ALOX5
SCHEMBL6089445 0.84 CYSLTR1 (0.57) GPBAR1CYSLTR1CYSLTR2
SCHEMBL6089710 0.83 GPBAR1 (0.50) GPBAR1CYSLTR1CYSLTR2ALOX5FFAR1
SCHEMBL6583704 0.81 GPBAR1 (0.57) GPBAR1CYSLTR1CYSLTR2ALOX5ALOX5AP
SCHEMBL6088437 0.80 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