SCHEMBL9526756

SCHEMBL9526756

COc1cc(C(=O)O)ccc1Cc1cn(C)c2ccc(CC3CCN(C)C3=O)cc12

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 6/20 0.48
CYSLTR2 Q9NS75 4/20 0.47
CYSLTR1 Q9Y271 4/20 0.47
LTB4R Q15722 3/20 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
SCHEMBL9526857 0.92 CYSLTR1 (0.44) PLA2G4ACYSLTR2CYSLTR1
SCHEMBL9526681 0.90 CYSLTR2 (0.60) PLA2G4ACYSLTR2CYSLTR1LTB4R
SCHEMBL9526827 0.90 CYSLTR2 (0.50) PLA2G4ACYSLTR2CYSLTR1LTB4R
SCHEMBL9527319 0.85 CYSLTR2 (0.60) PLA2G4ACYSLTR2CYSLTR1LTB4R
SCHEMBL9528256 0.84 PLA2G4A (0.40) PLA2G4ACYSLTR2CYSLTR1LTB4R
SCHEMBL9527970 0.84 EPHX2 (0.65) PLA2G4ACYSLTR2CYSLTR1
SCHEMBL9528075 0.83 CYSLTR1 (0.66) PLA2G4ACYSLTR2CYSLTR1
SCHEMBL9527659 0.83 CYSLTR1 (0.44) CYSLTR2CYSLTR1
SCHEMBL9527465 0.83 CYSLTR2 (0.53) CYSLTR2CYSLTR1
SCHEMBL9527709 0.83 CYSLTR2 (0.59) PLA2G4ACYSLTR2CYSLTR1LTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0337767-B1 CYCLIC AMIDES ICI AMERICAS INC. (US) 1993-01-13 EP disclosed
US-5047402-A Leukotriene Antagonists ICI AMERICAS INC. (US) 1991-09-10 US disclosed
EP-0337767-A1 Cyclic amides ICI AMERICAS INC. (US) 1989-10-18 EP disclosed