SCHEMBL9757065

SCHEMBL9757065

CCCc1c(OCc2cccc(OCc3ccc4ccccc4n3)c2)ccc2oc(C(=O)O)nc12

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 11/20 0.51
CYSLTR2 Q9NS75 7/20 0.51
GPBAR1 Q8TDU6 4/20 0.50
ALOX5 P09917 1/20 0.49

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
SCHEMBL9757087 0.82 CYSLTR1 (0.54) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL9757272 0.82 CYSLTR1 (0.60) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL9635482 0.81 CYSLTR1 (0.56) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6090915 0.77 CYSLTR1 (0.53) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL7716747 0.77 CYSLTR1 (0.67) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL9636990 0.76 CYSLTR1 (0.49) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL9757113 0.76 CYSLTR1 (0.50) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL9757243 0.75 CYSLTR1 (0.54) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL6089807 0.75 CYSLTR1 (0.66) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL7009377 0.75 CYSLTR1 (0.66) CYSLTR1CYSLTR2GPBAR1ALOX5

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