SCHEMBL9506711

SCHEMBL9506711

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 9/20 0.51
CYSLTR1 Q9Y271 9/20 0.51
PPARA Q07869 1/20 0.47
LIPG Q9Y5X9 1/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
ALOX5 P09917 1/20 0.43
PTGS2 P35354 1/20 0.43
PPARG P37231 1/20 0.41
BID P55957 1/20 0.41
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
BAK1 Q16611 1/20 0.41

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
SCHEMBL9559933 0.86 CYSLTR2 (0.50) CYSLTR2CYSLTR1PPARALIPGTHRA
SCHEMBL9504738 0.85 CYSLTR2 (0.54) CYSLTR2CYSLTR1PPARALIPGTHRA
SCHEMBL10703873 0.82 PPARG (0.46) PPARAPPARG
SCHEMBL9485034 0.81 CYSLTR2 (0.53) CYSLTR2CYSLTR1PPARALIPGTHRA
SCHEMBL9864065 0.79 CYSLTR2 (0.54) CYSLTR2CYSLTR1PPARALIPGTHRA
SCHEMBL28278778 0.78 CYSLTR2 (0.51) CYSLTR2CYSLTR1PPARALIPGALOX5
SCHEMBL9507461 0.78 CYSLTR2 (0.67) CYSLTR2CYSLTR1
SCHEMBL27261807 0.77 PPARA (0.47) CYSLTR2CYSLTR1PPARALIPGTHRA
SCHEMBL500647 0.77 CYSLTR2 (0.56) CYSLTR2CYSLTR1PPARALIPGTHRA
SCHEMBL9808865 0.77 CYSLTR2 (0.56) CYSLTR2CYSLTR1PPARALIPGTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0375348-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-06-23 EP disclosed
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-5143931-A 2-Phenyl-2((tetrazolyl or imidazolyl)thio)alkanoic acid derivatives; antiphylactic and bronchodilator agents SMITHKLINE BEECHAM CORPORATION (US) 1992-09-01 US disclosed
EP-0296731-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1992-08-26 EP disclosed
US-5135938-A Bronchodilator SMITHKLINE BEECHAM CORPORATION (US) 1992-08-04 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-4954513-A Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-09-04 US disclosed
US-4939279-A Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-07-03 US disclosed
EP-0375348-A1 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-06-27 EP 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-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
EP-0296731-A1 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1988-12-28 EP disclosed
EP-0202759-A2 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1986-11-26 EP disclosed