SCHEMBL9689399

SCHEMBL9689399

C[C@@H](CC(=O)O)S[C@H](CCc1ccccc1C(C)(C)O)c1cccc(CCc2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 1/20 0.52
▸ CYSLTR1 Q9Y271 1/20 0.52

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
SCHEMBL9689591 0.87 CYSLTR2 (0.56) CYSLTR2CYSLTR1
SCHEMBL9689041 0.87 CYSLTR2 (0.53) CYSLTR2CYSLTR1
SCHEMBL9688179 0.86 — —
SCHEMBL9222120 0.86 CYSLTR2 (0.55) CYSLTR2CYSLTR1
SCHEMBL9690128 0.84 CYSLTR1 (0.59) CYSLTR2CYSLTR1
SCHEMBL8931783 0.84 CYSLTR1 (0.73) CYSLTR2CYSLTR1
SCHEMBL10054296 0.84 CYSLTR1 (0.73) CYSLTR2CYSLTR1
SCHEMBL13424994 0.84 — —
SCHEMBL8498735 0.84 CYSLTR1 (0.73) CYSLTR2CYSLTR1
SCHEMBL8497092 0.84 CYSLTR1 (0.73) CYSLTR2CYSLTR1

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-0480716-A1 Saturated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1992-04-15 — — EP disclosed
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