SCHEMBL9560372

SCHEMBL9560372

CCCCCCCCCCCCc1ccccc1C(SCCS(=O)(=O)O)C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 13/20 0.50
CYSLTR1 Q9Y271 13/20 0.50
S1PR2 O95136 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
PPARA Q07869 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
LIPG Q9Y5X9 1/20 0.36

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
SCHEMBL9560229 0.90 CYSLTR2 (0.49) CYSLTR2CYSLTR1PPARATHRATHRB
SCHEMBL9559931 0.88 CYSLTR2 (0.56) CYSLTR2CYSLTR1S1PR2S1PR1S1PR3
SCHEMBL9561314 0.87 CYSLTR2 (0.48) CYSLTR2CYSLTR1PPARATHRATHRB
SCHEMBL9560080 0.84 CYSLTR2 (0.58) CYSLTR2CYSLTR1
SCHEMBL9560302 0.84 CYSLTR2 (0.49) CYSLTR2CYSLTR1PPARATHRATHRB
SCHEMBL9507481 0.83 CYSLTR2 (0.71) CYSLTR2CYSLTR1
SCHEMBL9559832 0.83 CYSLTR2 (0.50) CYSLTR2CYSLTR1PPARATHRATHRB
SCHEMBL9561450 0.82 CYSLTR2 (0.56) CYSLTR2CYSLTR1PPARATHRATHRB
SCHEMBL9559976 0.82 CYSLTR2 (0.56) CYSLTR2CYSLTR1PPARATHRATHRB
SCHEMBL9561464 0.82 CYSLTR2 (0.56) CYSLTR2CYSLTR1PPARATHRATHRB

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 12 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
EP-0358240-B1 INTERMEDIATES FOR THE PREPARATION OF LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-06-09 EP disclosed
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-4939279-A Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-07-03 US disclosed
US-4937253-A LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1990-06-26 US disclosed
EP-0202759-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1990-06-20 EP disclosed
EP-0365149-A2 Leukotriene antagonist prodrugs SMITHKLINE BEECHAM CORPORATION (US) 1990-04-25 EP disclosed
EP-0358240-A2 Intermediates for the preparation of leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-03-14 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