SCHEMBL6582230

SCHEMBL6582230

O=C(O)CCC(Oc1ccccc1COc1ccc(OCc2ccc3ccccc3n2)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 12/20 0.61
CYSLTR1 Q9Y271 12/20 0.61
FFAR1 O14842 1/20 0.59
AKR1B1 P15121 1/20 0.59
GPBAR1 Q8TDU6 1/20 0.55
ALOX5 P09917 2/20 0.50
HDAC6 Q9UBN7 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
SCHEMBL6089854 0.93 CYSLTR1 (0.62) CYSLTR2CYSLTR1FFAR1AKR1B1GPBAR1
SCHEMBL6089369 0.90 CYSLTR2 (0.57) CYSLTR2CYSLTR1FFAR1AKR1B1GPBAR1
SCHEMBL10421721 0.87 CYSLTR2 (0.46) CYSLTR2CYSLTR1FFAR1AKR1B1GPBAR1
SCHEMBL6092416 0.83 CYSLTR1 (0.58) CYSLTR2CYSLTR1GPBAR1ALOX5
SCHEMBL6588072 0.83 GPBAR1 (0.59) CYSLTR2CYSLTR1FFAR1AKR1B1GPBAR1
SCHEMBL6583908 0.82 GPBAR1 (0.58) CYSLTR2CYSLTR1FFAR1AKR1B1GPBAR1
SCHEMBL6581739 0.82 CYSLTR1 (0.63) CYSLTR2CYSLTR1FFAR1AKR1B1GPBAR1
SCHEMBL6090953 0.81 GPBAR1 (0.64) CYSLTR2CYSLTR1FFAR1AKR1B1GPBAR1
SCHEMBL6583803 0.80 CYSLTR1 (0.58) CYSLTR2CYSLTR1GPBAR1
SCHEMBL6089826 0.79 CYSLTR2 (0.52) CYSLTR2CYSLTR1FFAR1AKR1B1GPBAR1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0348155-B1 Quinoline derivatives as antagonists of leukotriene D4, compositions containing the same and processes for their preparation RHONE POULENC RORER INT (US) 1999-05-12 EP claimed
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 claimed
WO-1989012628-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-12-28 WO claimed
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 claimed
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-0348155-B1 Quinoline derivatives as antagonists of leukotriene D4, compositions containing the same and processes for their preparation RHONE POULENC RORER INT (US) 1999-05-12 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
US-4937230-A ADMINISTERING GLYCYL-HISTIDYL-LYSINE COPPER DERIVATIVE PROCYTE CORPORATION (US) 1990-06-26 US disclosed
US-4920131-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US 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