SCHEMBL8500087

SCHEMBL8500087

CCC(C(=O)O)c1ccccc1CCC(SCCCCC(C)(C)O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.58
▸ RECQL P46063 1/20 0.58
▸ BLM P54132 1/20 0.58
▸ KMT2A Q03164 1/20 0.58

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
SCHEMBL8500091 1.00 MEN1 (0.58) MEN1RECQLBLMKMT2A
SCHEMBL8499867 0.99 MEN1 (0.59) MEN1RECQLBLMKMT2A
SCHEMBL8499868 0.99 MEN1 (0.59) MEN1RECQLBLMKMT2A
SCHEMBL8499913 0.99 MEN1 (0.59) MEN1RECQLBLMKMT2A
SCHEMBL8499916 0.99 MEN1 (0.59) MEN1RECQLBLMKMT2A
SCHEMBL8501953 0.94 MEN1 (0.56) MEN1RECQLBLMKMT2A
SCHEMBL8501950 0.94 MEN1 (0.56) MEN1RECQLBLMKMT2A
SCHEMBL8498752 0.90 — —
SCHEMBL8498749 0.90 — —
SCHEMBL8496441 0.89 MEN1 (0.53) MEN1RECQLBLMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5856322-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, CARDIOVASCULAR DISORDERS MERCK FROSST CANADA, INC. (CA) 1999-01-05 — — US disclosed
EP-0480717-B1 Unsaturated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA INC (CA) 1998-04-15 — — EP disclosed
US-5565473-A USEFUL AS ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND CYTOPROTECTIVE AGENTS; MONTELUKAST AND ITS SODIUM SALT MERCK FROSST CANADA, INC. (CA) 1996-10-15 — — US disclosed
US-5270324-A Fluorinated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1993-12-14 — — US disclosed
EP-0480717-A1 Unsaturated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1992-04-15 — — EP disclosed
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