SCHEMBL9117941

SCHEMBL9117941

CC(C)(CC(=O)O)S[C@H](CCc1ccccc1C(C)(C)O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 1/20 0.54
▸ CYSLTR1 Q9Y271 1/20 0.54

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
SCHEMBL9689041 0.87 CYSLTR2 (0.53) CYSLTR2CYSLTR1
SCHEMBL9117940 0.86 — —
SCHEMBL9585999 0.84 — —
SCHEMBL9121313 0.84 — —
SCHEMBL9121234 0.84 — —
SCHEMBL9119548 0.83 MAPK1 (0.55) CYSLTR2CYSLTR1
SCHEMBL9118802 0.83 MAPK1 (0.55) CYSLTR2CYSLTR1
SCHEMBL9120740 0.83 — —
SCHEMBL9120799 0.83 — —
SCHEMBL9120087 0.83 — —

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-0480708-B1 Hydroxyalkylquinoline ether acids as leukotriene antagonists MERCK FROSST CANADA INC (CA) 1995-10-11 — — EP disclosed
US-5266568-A Hydroxyalkylquinoline ether acids as leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1993-11-30 — — US disclosed
EP-0480708-A2 Hydroxyalkylquinoline ether acids as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1992-04-15 — — EP disclosed
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