SCHEMBL9561574

SCHEMBL9561574

CCCCCCCCCCCCc1ccccc1C(Cc1nnn[nH]1)SCCC(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 17/20 0.48
CYSLTR1 Q9Y271 17/20 0.48
PPARG P37231 1/20 0.37

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
SCHEMBL9560009 0.90 CYSLTR2 (0.61) CYSLTR2CYSLTR1
SCHEMBL9561413 0.84 CYSLTR2 (0.50) CYSLTR2CYSLTR1PPARG
SCHEMBL10475295 0.83 CYSLTR2 (0.42) CYSLTR2CYSLTR1
SCHEMBL9485959 0.79 CYSLTR2 (0.45) CYSLTR2CYSLTR1
SCHEMBL9559930 0.76 CYSLTR2 (0.43) CYSLTR2CYSLTR1
SCHEMBL9506698 0.76 CYSLTR2 (0.68) CYSLTR2CYSLTR1
SCHEMBL9535430 0.75 CYSLTR2 (0.44) CYSLTR2CYSLTR1
SCHEMBL9560080 0.75 CYSLTR2 (0.58) CYSLTR2CYSLTR1PPARG
SCHEMBL9560196 0.75 CYSLTR2 (0.61) CYSLTR2CYSLTR1PPARG
SCHEMBL9484780 0.75 CYSLTR2 (0.50) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4937253-A LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1990-06-26 US claimed
EP-0365149-A2 Leukotriene antagonist prodrugs SMITHKLINE BEECHAM CORPORATION (US) 1990-04-25 EP claimed
US-5189226-A Chemical intermediate for diacid SMITHKLINE BEECHAM CORPORATION (US) 1993-02-23 US 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-4937253-A LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1990-06-26 US disclosed
EP-0365149-A2 Leukotriene antagonist prodrugs SMITHKLINE BEECHAM CORPORATION (US) 1990-04-25 EP disclosed
US-4820719-A ANTIALLERGENS, ANTIINFLAMMATORY, ANTIISCHEMIC AND HYPOTENSIVE AGENTS SMITHKLINE BECKMAN CORPORATION (US) 1989-04-11 US disclosed