SCHEMBL9757091

SCHEMBL9757091

CN1c2ccc(OCc3cccc(OCc4ccc5ccccc5n4)c3)cc2OC1CCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 11/20 0.56
CYSLTR2 Q9NS75 9/20 0.56
ALOX5 P09917 1/20 0.51
FFAR1 O14842 1/20 0.49
AKR1B1 P15121 1/20 0.49
GPBAR1 Q8TDU6 2/20 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
SCHEMBL9757158 0.91 CYSLTR1 (0.56) CYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL9761166 0.91 CYSLTR1 (0.56) CYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL9757154 0.86 CYSLTR1 (0.51) CYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL9757161 0.83 CYSLTR1 (0.54) CYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL9757061 0.78 ALOX5 (0.53) CYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL9656045 0.75 CYSLTR1 (0.85) CYSLTR1CYSLTR2ALOX5FFAR1AKR1B1
SCHEMBL7454187 0.74 CYSLTR1 (0.77) CYSLTR1CYSLTR2ALOX5FFAR1AKR1B1
SCHEMBL9022221 0.74 CYSLTR1 (0.67) CYSLTR1CYSLTR2ALOX5FFAR1AKR1B1
SCHEMBL6088484 0.74 CYSLTR1 (0.69) CYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL7711072 0.73 GPBAR1 (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