SCHEMBL9757181

SCHEMBL9757181

CCOC(=O)CCC1(C)Nc2ccc(OCc3cccc(OCc4ccc5ccccc5n4)c3)cc2O1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 7/20 0.56
CYSLTR2 Q9NS75 6/20 0.56
ALOX5 P09917 1/20 0.51
GPBAR1 Q8TDU6 1/20 0.46
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 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
SCHEMBL9757177 0.83 CYSLTR1 (0.50) CYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL9635552 0.81 CYSLTR2 (0.54) CYSLTR1CYSLTR2ALOX5
SCHEMBL9757185 0.79 CYSLTR1 (0.54) CYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL9757158 0.75 CYSLTR1 (0.56) CYSLTR1CYSLTR2ALOX5GPBAR1PPARG
SCHEMBL9761166 0.75 CYSLTR1 (0.56) CYSLTR1CYSLTR2ALOX5GPBAR1PPARG
SCHEMBL10544504 0.73 CYSLTR1 (1.00) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9757107 0.73 GPBAR1 (0.51) CYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL9636955 0.71 CYSLTR2 (0.54) CYSLTR1CYSLTR2ALOX5
SCHEMBL9757088 0.71 ALOX5 (0.58) CYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL14021512 0.71 CYSLTR1 (0.80) 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 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