SCHEMBL9597584

SCHEMBL9597584

COC(=O)CC(C)CCC(Sc1cccc(C(=O)OC)c1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 1/20 0.47
▸ CYSLTR1 Q9Y271 1/20 0.47

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
SCHEMBL9210453 1.00 CYSLTR2 (0.47) CYSLTR2CYSLTR1
SCHEMBL9201304 0.86 CYSLTR1 (0.54) CYSLTR2CYSLTR1
SCHEMBL9201307 0.86 CYSLTR1 (0.54) CYSLTR2CYSLTR1
SCHEMBL9202703 0.81 CYSLTR1 (0.52) CYSLTR2CYSLTR1
SCHEMBL9202710 0.81 CYSLTR1 (0.52) CYSLTR2CYSLTR1
SCHEMBL9202187 0.81 F2 (0.38) —
SCHEMBL9208589 0.80 CYSLTR1 (0.55) CYSLTR2CYSLTR1
SCHEMBL9208597 0.80 CYSLTR1 (0.55) CYSLTR2CYSLTR1
SCHEMBL8500070 0.78 CYSLTR1 (0.55) CYSLTR2CYSLTR1
SCHEMBL8500066 0.78 CYSLTR1 (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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