SCHEMBL8500046

SCHEMBL8500046

CCC(C(=O)OCC[Si](C)(C)C)c1ccccc1CCC(=O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 4/20 0.44
▸ CYSLTR1 Q9Y271 4/20 0.44
▸ PTGER1 P34995 1/20 0.41
▸ PTGER4 P35408 1/20 0.41
▸ PTGER3 P43115 1/20 0.41
▸ PTGER2 P43116 1/20 0.41

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
SCHEMBL8500047 1.00 CYSLTR2 (0.44) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL9691037 0.88 CYSLTR2 (0.49) CYSLTR2CYSLTR1
SCHEMBL9691042 0.88 CYSLTR2 (0.49) CYSLTR2CYSLTR1
SCHEMBL8500058 0.86 — —
SCHEMBL8500060 0.86 — —
SCHEMBL8500092 0.83 — —
SCHEMBL8500094 0.83 — —
SCHEMBL8500089 0.82 CYSLTR2 (0.49) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL8500086 0.82 CYSLTR2 (0.49) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL9691074 0.81 CYSLTR2 (0.50) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5856322-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, CARDIOVASCULAR DISORDERS MERCK FROSST CANADA, INC. (CA) 1999-01-05 — — US disclosed
US-5565473-A USEFUL AS ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND CYTOPROTECTIVE AGENTS; MONTELUKAST AND ITS SODIUM SALT MERCK FROSST CANADA, INC. (CA) 1996-10-15 — — US disclosed
US-5270324-A Fluorinated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1993-12-14 — — US disclosed
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