SCHEMBL9560073

SCHEMBL9560073

O=C(O)CCSC(c1ccccc1CCCCCCCCc1ccco1)C(O)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 18/20 0.73
CYSLTR1 Q9Y271 18/20 0.73

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
Pobilukast SCHEMBL125952 0.85 CYSLTR2 (1.00) CYSLTR2CYSLTR1
Pobilukast SCHEMBL6437479 0.85 CYSLTR2 (1.00) CYSLTR2CYSLTR1
Pobilukast SCHEMBL29473536 0.85 CYSLTR2 (1.00) CYSLTR2CYSLTR1
SCHEMBL9395596 0.84 CYSLTR2 (0.81) CYSLTR2CYSLTR1
Pobilukast SCHEMBL9508133 0.84 CYSLTR2 (0.98) CYSLTR2CYSLTR1
SCHEMBL27262084 0.84 CYSLTR2 (0.81) CYSLTR2CYSLTR1
Pobilukast SCHEMBL9508139 0.84 CYSLTR2 (0.98) CYSLTR2CYSLTR1
SCHEMBL9395589 0.84 CYSLTR2 (0.81) CYSLTR2CYSLTR1
SCHEMBL10557586 0.83 CYSLTR2 (0.72) CYSLTR2CYSLTR1
SCHEMBL9559972 0.81 CYSLTR2 (0.48) CYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0202759-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1990-06-20 EP claimed
US-4820719-A ANTIALLERGENS, ANTIINFLAMMATORY, ANTIISCHEMIC AND HYPOTENSIVE AGENTS SMITHKLINE BECKMAN CORPORATION (US) 1989-04-11 US claimed
EP-0358240-B1 INTERMEDIATES FOR THE PREPARATION OF LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-06-09 EP disclosed
US-5034537-A Alpha-methyl-4-halobenzenemethanamine salts of acids for cardiovascular disorders, respiratory system disorders and antiallergens SMITHKLINE BEECHAM CORPORATION (US) 1991-07-23 US disclosed
US-4939279-A Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-07-03 US disclosed
EP-0202759-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1990-06-20 EP disclosed
US-4874792-A RESPIRATORY SYSTEM DISORDERS SMITHKLINE BECKMAN CORPORATION (US) 1989-10-17 US disclosed
US-4820719-A ANTIALLERGENS, ANTIINFLAMMATORY, ANTIISCHEMIC AND HYPOTENSIVE AGENTS SMITHKLINE BECKMAN CORPORATION (US) 1989-04-11 US disclosed
EP-0202759-A2 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1986-11-26 EP disclosed