SCHEMBL9691042

SCHEMBL9691042

CCC(C(=O)O)c1ccccc1CCC(=O)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 2/20 0.49
▸ CYSLTR1 Q9Y271 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
SCHEMBL9691037 1.00 CYSLTR2 (0.49) CYSLTR2CYSLTR1
SCHEMBL9691066 0.90 CYSLTR2 (0.50) CYSLTR2CYSLTR1
SCHEMBL9691074 0.90 CYSLTR2 (0.50) CYSLTR2CYSLTR1
SCHEMBL8500047 0.88 CYSLTR2 (0.44) CYSLTR2CYSLTR1
SCHEMBL8500046 0.88 CYSLTR2 (0.44) CYSLTR2CYSLTR1
SCHEMBL1459405 0.86 PTGER1 (0.49) CYSLTR2CYSLTR1
SCHEMBL8500086 0.84 CYSLTR2 (0.49) CYSLTR2CYSLTR1
SCHEMBL8500089 0.84 CYSLTR2 (0.49) CYSLTR2CYSLTR1
SCHEMBL9691006 0.84 — —
SCHEMBL8500800 0.84 — —

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-0480717-A1 Unsaturated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1992-04-15 — — EP disclosed
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