SCHEMBL9560001

SCHEMBL9560001

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYSLTR2 Q9NS75 5/20 0.38
CYSLTR1 Q9Y271 5/20 0.38
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
PTGER1 P34995 1/20 0.35
PTGFR P43088 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL9560179 0.77 CYSLTR2 (0.56) CYSLTR2CYSLTR1PPARA
SCHEMBL9485343 0.77 CYSLTR2 (0.49) CYSLTR2CYSLTR1PPARGPPARA
SCHEMBL9428159 0.76 CYSLTR2 (0.47) CYSLTR2CYSLTR1
SCHEMBL10587658 0.76 CYSLTR2 (0.64) CYSLTR2CYSLTR1
SCHEMBL9560054 0.75 CYSLTR2 (0.62) ATML3MBTL1CYSLTR2CYSLTR1GAA
SCHEMBL9560325 0.71 GAA (0.40) ATML3MBTL1CYSLTR2CYSLTR1ALDH1A1
SCHEMBL9560077 0.68 CYSLTR2 (0.69) CYSLTR2CYSLTR1
SCHEMBL9621311 0.67 ATM (0.47) ATML3MBTL1ALDH1A1GAAPOLB
SCHEMBL9505621 0.67 CYSLTR2 (0.58) CYSLTR2CYSLTR1PPARA
SCHEMBL7993149 0.67 KDM4E (0.48) ATML3MBTL1ALDH1A1GAAPOLB

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