SCHEMBL9757022

SCHEMBL9757022

CCOC(=O)C1Oc2cc(OCc3ccc(OCc4ccc5ccccc5n4)cc3)cc(O)c2N1c1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 6/20 0.47
CYSLTR2 Q9NS75 5/20 0.47
ALOX5 P09917 2/20 0.44
FFAR1 O14842 1/20 0.43
AKR1B1 P15121 1/20 0.43
ALOX5AP P20292 3/20 0.43
GPBAR1 Q8TDU6 2/20 0.42

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
SCHEMBL9757229 0.92 ALOX5 (0.47) CYSLTR1CYSLTR2ALOX5FFAR1AKR1B1
SCHEMBL9757056 0.78 ALDH1A1 (0.43)
SCHEMBL9635456 0.70 GLO1 (0.62) CYSLTR1CYSLTR2ALOX5ALOX5AP
SCHEMBL10547475 0.68 CYSLTR1 (0.76) CYSLTR1CYSLTR2ALOX5FFAR1AKR1B1
SCHEMBL1419751 0.68 CYSLTR1 (0.73) CYSLTR1CYSLTR2ALOX5FFAR1AKR1B1
SCHEMBL9756957 0.68 ALOX5 (0.46) CYSLTR1CYSLTR2ALOX5FFAR1AKR1B1
SCHEMBL9635598 0.67 CYSLTR1 (0.50) CYSLTR1ALOX5FFAR1AKR1B1ALOX5AP
SCHEMBL9757095 0.67 CYSLTR1 (0.55) CYSLTR1CYSLTR2ALOX5FFAR1AKR1B1
SCHEMBL10544473 0.67 CYSLTR1 (0.84) CYSLTR1CYSLTR2ALOX5FFAR1AKR1B1
SCHEMBL8298869 0.67 CYSLTR1 (0.59) CYSLTR1CYSLTR2ALOX5FFAR1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991019475-A2 QUINOLINYL-BENZOHETEROBICYCLIC DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D¿4? RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1991-12-26 WO disclosed
US-5041453-A Quinolinyl-benzoheterobicyclic derivatives as antagonists of leukotriene D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-08-20 US disclosed