SCHEMBL8497845

SCHEMBL8497845

CC(O)Cc1ccccc1CCC(SCC(C)(C)C(=O)O)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 2/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ RECQL P46063 1/20 0.62
▸ BLM P54132 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ ABCB11 O95342 1/20 0.62
▸ EGFR P00533 1/20 0.62
▸ ESR1 P03372 1/20 0.62
▸ NR3C1 P04150 1/20 0.62
▸ FYN P06241 1/20 0.62
▸ PGR P06401 1/20 0.62
▸ ADRB2 P07550 1/20 0.62
▸ ADRB1 P08588 1/20 0.62
▸ ADRA2A P08913 1/20 0.62
▸ ADORA3 P0DMS8 1/20 0.62
▸ CYP2C8 P10632 1/20 0.62
▸ CHRM1 P11229 1/20 0.62
▸ ADRB3 P13945 1/20 0.62
▸ ADRA2B P18089 1/20 0.62
▸ ADRA2C P18825 1/20 0.62

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
SCHEMBL9689105 0.89 — —
SCHEMBL8497839 0.89 CYSLTR1 (0.77) CYSLTR1MEN1RECQLBLMKMT2A
SCHEMBL8499358 0.87 — —
SCHEMBL7405767 0.86 CYSLTR1 (0.81) CYSLTR1MEN1RECQLBLMKMT2A
SCHEMBL1535570 0.86 CYSLTR1 (0.81) CYSLTR1MEN1RECQLBLMKMT2A
SCHEMBL2877907 0.86 CYSLTR1 (0.81) CYSLTR1MEN1RECQLBLMKMT2A
SCHEMBL8497608 0.86 — —
SCHEMBL8499740 0.86 — —
SCHEMBL8497517 0.86 CYP2C8 (0.60) CYSLTR1CYP2C8CYSLTR2
SCHEMBL8500756 0.85 — —

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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