SCHEMBL10224774

SCHEMBL10224774

COC(=O)c1ccccc1CCCc1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 5/20 0.49
▸ CYSLTR2 Q9NS75 3/20 0.49
▸ PTGER1 P34995 1/20 0.45
▸ PTGER4 P35408 1/20 0.45
▸ PTGER3 P43115 1/20 0.45
▸ PTGER2 P43116 1/20 0.45

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
SCHEMBL12267469 0.90 CYSLTR2 (0.49) CYSLTR1CYSLTR2
SCHEMBL14527479 0.88 CYSLTR1 (0.49) CYSLTR1CYSLTR2PTGER1PTGER4PTGER3
SCHEMBL14527588 0.88 — —
SCHEMBL12856340 0.86 CYSLTR2 (0.45) CYSLTR1CYSLTR2
SCHEMBL29517073 0.85 CYSLTR2 (0.49) CYSLTR1CYSLTR2PTGER1PTGER4PTGER3
SCHEMBL30497375 0.85 CYSLTR2 (0.49) CYSLTR1CYSLTR2PTGER1PTGER4PTGER3
SCHEMBL201960 0.85 CYSLTR2 (0.49) CYSLTR1CYSLTR2PTGER1PTGER4PTGER3
SCHEMBL201961 0.85 CYSLTR2 (0.49) CYSLTR1CYSLTR2PTGER1PTGER4PTGER3
SCHEMBL14620846 0.85 CYSLTR2 (0.44) CYSLTR1CYSLTR2
Water SCHEMBL2079831 0.84 CYSLTR2 (0.48) CYSLTR1CYSLTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203557-B1 KETOREDUCTASE POLYPEPTIDES AND USES THEREOF CODEXIS INC (US) 2012-02-29 — — EP disclosed
EP-2181986-A1 Process for the preparation of a precursor of montelukast Synthon B.V. (NL) 2010-05-05 — — EP disclosed
EP-1740545-B1 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR SYNTHON BV (NL) 2010-03-24 — — EP disclosed
WO-2009042984-A1 KETOREDUCTASE POLYPEPTIDES AND USES THEREOF CODEXIS, INC. (US) 2009-04-02 — — WO disclosed
US-7335757-B2 Carbonyl reductase, gene encoding the same, and process for producing optically active alcohols using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2008-02-26 — — US disclosed
US-7335757-B2 Carbonyl reductase, gene encoding the same, and process for producing optically active alcohols using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2008-02-26 — — US disclosed
WO-2007057227-A1 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR SYNTHON B.V. (NL) 2007-05-24 — — WO disclosed
WO-2007057225-A2 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR SYNTHON B.V. (NL) 2007-05-24 — — WO disclosed
WO-2007057228-A1 A NEW INTERMEDIATE FOR MAKING MONTELUKAST AND RELATED COMPOUNDS SYNTHON B.V. (NL) 2007-05-24 — — WO disclosed
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