SCHEMBL29517073

SCHEMBL29517073

COC(=O)c1ccccc1CCC(=O)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 4/20 0.49
▸ CYSLTR1 Q9Y271 4/20 0.49
▸ PTGER1 P34995 1/20 0.48
▸ PTGER4 P35408 1/20 0.48
▸ PTGER3 P43115 1/20 0.48
▸ PTGER2 P43116 1/20 0.48

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
SCHEMBL201961 1.00 CYSLTR2 (0.49) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL201960 1.00 CYSLTR2 (0.49) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL30497375 1.00 CYSLTR2 (0.49) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL14843923 0.90 CYSLTR2 (0.46) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL27935898 0.90 CYSLTR2 (0.46) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL9108250 0.90 CYSLTR2 (0.46) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL9108247 0.90 CYSLTR2 (0.46) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL692870 0.89 CYSLTR2 (0.52) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL692871 0.89 CYSLTR2 (0.52) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL13992167 0.88 CYSLTR2 (0.47) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112724082-B Preparation method of montelukast sodium drug intermediate 江苏阿尔法药业股份有限公司 2022-05-13 — — CN disclosed
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