SCHEMBL9757136

SCHEMBL9757136

CCOC(=O)CCOc1ccc(OCc2ccc3ccccc3n2)cc1C(OC)c1ccc2nc(-c3nnn[nH]3)oc2c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 5/20 0.45
CYSLTR2 Q9NS75 4/20 0.45
ALOX5AP P20292 5/20 0.41
PPARG P37231 2/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
ALOX5 P09917 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36

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
SCHEMBL9757215 0.86 ALOX5AP (0.38) CYSLTR1CYSLTR2ALOX5AP
SCHEMBL9757127 0.84 CYSLTR1 (0.46) CYSLTR1CYSLTR2ALOX5APPPARGPPARD
SCHEMBL9673252 0.79 CYSLTR1 (0.44) CYSLTR1CYSLTR2ALOX5AP
SCHEMBL9760905 0.78 CYSLTR1 (0.44) CYSLTR1CYSLTR2ALOX5AP
SCHEMBL9756990 0.73 CYSLTR1 (0.49) CYSLTR1CYSLTR2
SCHEMBL9757016 0.72 CYSLTR1 (0.52) CYSLTR1CYSLTR2
SCHEMBL9757114 0.72 CYSLTR2 (0.46) CYSLTR1CYSLTR2
SCHEMBL9757125 0.71 CYSLTR1 (0.51) CYSLTR1CYSLTR2
SCHEMBL9757105 0.70 GPBAR1 (0.45) CYSLTR1CYSLTR2
SCHEMBL9757276 0.70 CYSLTR2 (0.49) CYSLTR1CYSLTR2

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