SCHEMBL4424900

SCHEMBL4424900

COC(=O)c1ccccc1CC(C(=O)OC)C(=O)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 3/20 0.47
▸ CYSLTR1 Q9Y271 3/20 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
SCHEMBL4424897 1.00 CYSLTR2 (0.47) CYSLTR2CYSLTR1
SCHEMBL4426165 0.93 CYSLTR1 (0.47) CYSLTR2CYSLTR1
SCHEMBL4426162 0.93 CYSLTR1 (0.47) CYSLTR2CYSLTR1
SCHEMBL201961 0.83 CYSLTR2 (0.49) CYSLTR2CYSLTR1
SCHEMBL29517073 0.83 CYSLTR2 (0.49) CYSLTR2CYSLTR1
SCHEMBL30497375 0.83 CYSLTR2 (0.49) CYSLTR2CYSLTR1
SCHEMBL201960 0.83 CYSLTR2 (0.49) CYSLTR2CYSLTR1
SCHEMBL13992167 0.82 CYSLTR2 (0.47) CYSLTR2CYSLTR1
SCHEMBL9950148 0.82 CYSLTR1 (0.51) CYSLTR2CYSLTR1
SCHEMBL9950152 0.82 CYSLTR1 (0.51) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094665-A2 PREPARATION OF MONTELUKAST AND ITS SALTS Dr. Reddy's Laboratories Ltd. (IN) 2009-09-02 — — EP claimed
WO-2008058118-A2 PREPARATION OF MONTELUKAST AND ITS SALTS DR. REDDY'S LABORTORIES, LTD. (IN) 2008-05-15 — — WO claimed
EP-2094665-A2 PREPARATION OF MONTELUKAST AND ITS SALTS Dr. Reddy's Laboratories Ltd. (IN) 2009-09-02 — — EP disclosed
WO-2008058118-A2 PREPARATION OF MONTELUKAST AND ITS SALTS DR. REDDY'S LABORTORIES, LTD. (IN) 2008-05-15 — — WO disclosed
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