SCHEMBL9560054

SCHEMBL9560054

O=C(O)CCSC(CC(=O)O)c1ccccc1CCCCCCCSc1cccc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 14/20 0.62
CYSLTR1 Q9Y271 14/20 0.62
PTGER1 P34995 1/20 0.40
PTGFR P43088 1/20 0.40
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL10587658 0.90 CYSLTR2 (0.64) CYSLTR2CYSLTR1
SCHEMBL9560216 0.87 CYSLTR2 (0.77) CYSLTR2CYSLTR1
SCHEMBL9559818 0.80 CYSLTR2 (0.77) CYSLTR2CYSLTR1
SCHEMBL9560085 0.80 CYSLTR2 (0.79) CYSLTR2CYSLTR1
SCHEMBL10586660 0.79 CYSLTR2 (0.68) CYSLTR2CYSLTR1
SCHEMBL9559870 0.78 CYSLTR2 (0.66) CYSLTR2CYSLTR1
SCHEMBL9155578 0.78 CYSLTR2 (1.00) CYSLTR2CYSLTR1
SCHEMBL9155567 0.78 CYSLTR2 (1.00) CYSLTR2CYSLTR1
SCHEMBL10587974 0.77 CYSLTR2 (0.77) CYSLTR2CYSLTR1
SCHEMBL9397875 0.77 CYSLTR2 (0.80) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-0202759-A2 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1986-11-26 EP disclosed