SCHEMBL9022221

SCHEMBL9022221

O=C(O)Cc1ccc(OCc2cccc(OCc3ccc4ccccc4n3)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 10/20 0.67
CYSLTR2 Q9NS75 7/20 0.67
ALOX5 P09917 2/20 0.67
GPBAR1 Q8TDU6 3/20 0.65
FFAR1 O14842 1/20 0.65
AKR1B1 P15121 1/20 0.65

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
SCHEMBL6089121 0.92 CYSLTR1 (0.69) CYSLTR1CYSLTR2ALOX5GPBAR1FFAR1
SCHEMBL9053241 0.92 CYSLTR1 (0.73) CYSLTR1CYSLTR2ALOX5GPBAR1FFAR1
SCHEMBL7458734 0.91 CYSLTR1 (0.68) CYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL1419872 0.91 FFAR1 (0.77) CYSLTR1CYSLTR2ALOX5GPBAR1FFAR1
SCHEMBL7711072 0.88 GPBAR1 (0.80) CYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL7807149 0.87 FFAR1 (0.68) CYSLTR1CYSLTR2ALOX5GPBAR1FFAR1
SCHEMBL6088484 0.86 CYSLTR1 (0.69) CYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL10543161 0.86 CYSLTR1 (0.74) CYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL6089254 0.85 CYSLTR1 (0.67) CYSLTR1CYSLTR2ALOX5GPBAR1FFAR1
SCHEMBL7716691 0.85 CYSLTR1 (0.88) CYSLTR1CYSLTR2ALOX5GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0315399-B1 Quinoline derivatives, their use in the treatment of hypersensitive ailments and a pharmaceutical composition containing the same RHONE POULENC RORER INT (US) 1996-01-10 EP disclosed
US-5059610-A QUINOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-10-22 US disclosed
US-4920132-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed