SCHEMBL27935898

SCHEMBL27935898

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

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 3/20 0.46
▸ CYSLTR1 Q9Y271 3/20 0.46
▸ PTGER1 P34995 1/20 0.46
▸ PTGER4 P35408 1/20 0.46
▸ PTGER3 P43115 1/20 0.46
▸ PTGER2 P43116 1/20 0.46

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
SCHEMBL30497375 0.90 CYSLTR2 (0.49) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL201961 0.90 CYSLTR2 (0.49) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL29517073 0.90 CYSLTR2 (0.49) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL201960 0.90 CYSLTR2 (0.49) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL14843923 0.87 CYSLTR2 (0.46) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL10224774 0.82 CYSLTR1 (0.49) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL13992167 0.82 CYSLTR2 (0.47) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL2734121 0.81 — —
SCHEMBL9199185 0.81 CYSLTR2 (0.51) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL9199180 0.81 CYSLTR2 (0.51) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112142659-A Preparation method of montelukast sodium intermediate 宿迁盛基医药科技有限公司 2020-12-29 — — CN claimed
CN-112142659-A Preparation method of montelukast sodium intermediate 宿迁盛基医药科技有限公司 2020-12-29 — — CN disclosed
CN-112142659-A Preparation method of montelukast sodium intermediate 宿迁盛基医药科技有限公司 2020-12-29 — — CN disclosed
CN-103554016-A Processing technology of non-hormonal anti-inflammatory drug intermediate NANTONG ZHENGDA AGROCHEMICAL CO LTD 2014-02-05 — — CN disclosed
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