SCHEMBL14527479

SCHEMBL14527479

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

nearest known ligand 0.55

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 0.91 CYSLTR2 (0.49) CYSLTR1CYSLTR2
SCHEMBL14527588 0.88 — —
SCHEMBL10224774 0.88 CYSLTR1 (0.49) CYSLTR1CYSLTR2PTGER1PTGER4PTGER3
SCHEMBL12856340 0.87 CYSLTR2 (0.45) CYSLTR1CYSLTR2
SCHEMBL14620846 0.85 CYSLTR2 (0.44) CYSLTR1CYSLTR2
SCHEMBL1397232 0.85 CYSLTR2 (0.45) CYSLTR1CYSLTR2
SCHEMBL1397268 0.85 CYSLTR2 (0.45) CYSLTR1CYSLTR2
SCHEMBL13699137 0.81 CYP2C8 (0.56) CYSLTR1CYSLTR2
SCHEMBL2028786 0.81 CYP2C8 (0.56) CYSLTR1CYSLTR2
SCHEMBL626376 0.81 CYP2C8 (0.56) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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