SCHEMBL9202938

SCHEMBL9202938

COC(=O)c1cccc(C(SCCC(=O)NC(C)(C)C)c2cccc(OCc3ccc4ccc(Cl)cc4n3)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 2/20 0.51
▸ CYSLTR2 Q9NS75 1/20 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
SCHEMBL9210664 0.94 CYSLTR1 (0.49) CYSLTR1CYSLTR2
SCHEMBL9597309 0.93 CYSLTR1 (0.48) CYSLTR1CYSLTR2
SCHEMBL9597297 0.93 CYSLTR1 (0.48) CYSLTR1CYSLTR2
SCHEMBL9597300 0.92 — —
SCHEMBL9205169 0.90 CYSLTR1 (0.55) CYSLTR1CYSLTR2
SCHEMBL9202854 0.88 CYSLTR1 (0.52) CYSLTR1CYSLTR2
SCHEMBL9265161 0.84 CYSLTR2 (0.51) CYSLTR1CYSLTR2
SCHEMBL10698746 0.83 CYSLTR2 (0.45) CYSLTR1CYSLTR2
SCHEMBL9201205 0.82 CYSLTR1 (0.57) CYSLTR1CYSLTR2
SCHEMBL9209898 0.82 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0399818-B1 Diarylstyrylquinoline diacids MERCK FROSST CANADA INC (CA) 1995-08-16 — — EP disclosed
US-5204358-A Antiallergens; antiinflammatory agents; treatment of asthma, rhinitis, bronchitis and skin diseases MERCK FROSST CANADA, INC. (CA) 1993-04-20 — — US disclosed
US-5104882-A Leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1992-04-14 — — US disclosed
EP-0399818-A1 Diarylstyrylquinoline diacids MERCK FROSST CANADA INC. (CA) 1990-11-28 — — EP disclosed
EP-0318093-A2 Diarylquinoline diacids and their use as medicaments MERCK FROSST CANADA INC. (CA) 1989-05-31 — — EP disclosed
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