SCHEMBL8800538

SCHEMBL8800538

Cc1ccc(OCc2cccc(OCc3ccc4ccccc4n3)c2)c2c1NC(=O)CC2

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 3/20 0.51
GPBAR1 Q8TDU6 2/20 0.51
ALOX5 P09917 1/20 0.48
CYSLTR2 Q9NS75 1/20 0.46

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
SCHEMBL8800823 0.90 CYSLTR1 (0.48) CYSLTR1GPBAR1ALOX5CYSLTR2
SCHEMBL8801970 0.84 CYSLTR1 (0.58) CYSLTR1GPBAR1ALOX5CYSLTR2
SCHEMBL8143321 0.84 CYSLTR1 (0.53) CYSLTR1GPBAR1ALOX5CYSLTR2
SCHEMBL8801669 0.83 CYSLTR1 (0.54) CYSLTR1GPBAR1ALOX5CYSLTR2
SCHEMBL8139258 0.80 CYSLTR1 (0.53) CYSLTR1GPBAR1ALOX5CYSLTR2
SCHEMBL8802992 0.80 CYSLTR1 (0.54) CYSLTR1GPBAR1ALOX5CYSLTR2
SCHEMBL8801178 0.80 GPBAR1 (0.51) CYSLTR1GPBAR1ALOX5CYSLTR2
SCHEMBL12559634 0.78 BRD4 (0.51)
SCHEMBL8802493 0.78 CYSLTR1 (0.52) CYSLTR1GPBAR1ALOX5CYSLTR2
SCHEMBL8801917 0.76 CYSLTR1 (0.54) CYSLTR1GPBAR1ALOX5CYSLTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799826-A1 Heteroaryl substituted phenylene derivatives, their preparation and their use as leukotriene receptor antagonists KOWA CO. LTD. (JP) 1997-10-08 EP disclosed