SCHEMBL4416752

SCHEMBL4416752

COC(=O)CC(=O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 14/20 0.56
▸ CYSLTR2 Q9NS75 11/20 0.56
▸ ABCC1 P33527 4/20 0.48
▸ ABCC2 Q92887 3/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ ABCC3 O15438 1/20 0.48
▸ ABCC4 O15439 1/20 0.48
▸ ABCC5 O15440 1/20 0.48
▸ SLCO2B1 O94956 1/20 0.48
▸ ABCB11 O95342 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SLCO1B3 Q9NPD5 1/20 0.48
▸ ABCG2 Q9UNQ0 1/20 0.48
▸ SLCO1B1 Q9Y6L6 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
SCHEMBL4416755 1.00 CYSLTR1 (0.56) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL9950289 0.92 CYSLTR1 (0.54) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL9950291 0.92 CYSLTR1 (0.54) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL9691054 0.88 CYSLTR1 (0.59) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL9691057 0.88 CYSLTR1 (0.59) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL4957634 0.87 CYSLTR1 (0.60) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL13079849 0.85 CYSLTR1 (0.49) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL14843664 0.84 CYSLTR1 (0.55) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL28025551 0.84 CYSLTR1 (0.58) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL14843663 0.84 CYSLTR1 (0.55) CYSLTR1CYSLTR2ABCC1ABCC2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094665-A2 PREPARATION OF MONTELUKAST AND ITS SALTS Dr. Reddy's Laboratories Ltd. (IN) 2009-09-02 — — EP claimed
WO-2008058118-A2 PREPARATION OF MONTELUKAST AND ITS SALTS DR. REDDY'S LABORTORIES, LTD. (IN) 2008-05-15 — — WO claimed
EP-2094665-A2 PREPARATION OF MONTELUKAST AND ITS SALTS Dr. Reddy's Laboratories Ltd. (IN) 2009-09-02 — — EP disclosed
WO-2008058118-A2 PREPARATION OF MONTELUKAST AND ITS SALTS DR. REDDY'S LABORTORIES, LTD. (IN) 2008-05-15 — — WO disclosed
WO-2008058118-A2 PREPARATION OF MONTELUKAST AND ITS SALTS DR. REDDY'S LABORTORIES, LTD. (IN) 2008-05-15 — — WO disclosed
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
EP-0399818-B1 Diarylstyrylquinoline diacids MERCK FROSST CANADA INC (CA) 1995-08-16 — — EP disclosed
US-5270324-A Fluorinated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1993-12-14 — — US disclosed
US-5204358-A Antiallergens; antiinflammatory agents; treatment of asthma, rhinitis, bronchitis and skin diseases MERCK FROSST CANADA, INC. (CA) 1993-04-20 — — US disclosed
US-5104882-A Leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1992-04-14 — — US disclosed
EP-0399818-A1 Diarylstyrylquinoline diacids MERCK FROSST CANADA INC. (CA) 1990-11-28 — — EP disclosed
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