SCHEMBL12856340

SCHEMBL12856340

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

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 3/20 0.45
▸ CYSLTR1 Q9Y271 3/20 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
SCHEMBL1397268 0.98 CYSLTR2 (0.45) CYSLTR2CYSLTR1
SCHEMBL1397232 0.98 CYSLTR2 (0.45) CYSLTR2CYSLTR1
SCHEMBL14620846 0.91 CYSLTR2 (0.44) CYSLTR2CYSLTR1
SCHEMBL12267469 0.91 CYSLTR2 (0.49) CYSLTR2CYSLTR1
SCHEMBL14527479 0.87 CYSLTR1 (0.49) CYSLTR2CYSLTR1
SCHEMBL18192997 0.87 CYSLTR2 (0.46) CYSLTR2CYSLTR1
SCHEMBL10224774 0.86 CYSLTR1 (0.49) CYSLTR2CYSLTR1
SCHEMBL14527588 0.86 — —
SCHEMBL18192993 0.85 CYSLTR2 (0.48) CYSLTR2CYSLTR1
SCHEMBL2028786 0.83 CYP2C8 (0.56) 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
EP-1904448-B1 PURIFICATION OF MONTELUKAST TEVA PHARMA (IL) 2011-02-02 — — EP disclosed
WO-2007005965-A1 PURIFICATION OF MONTELUKAST TEVA PAHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-01-11 — — WO disclosed
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