SCHEMBL9560125

SCHEMBL9560125

CCCCCCCCCCCSc1ccccc1C=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.52
EPHX2 P34913 1/20 0.47
CYSLTR2 Q9NS75 1/20 0.47
CYSLTR1 Q9Y271 1/20 0.47
SOAT1 P35610 9/20 0.43
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GPR84 Q9NQS5 1/20 0.38

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
SCHEMBL11443812 1.00 PTGS2 (0.52) PTGS2EPHX2CYSLTR2CYSLTR1SOAT1
SCHEMBL9428564 1.00 PTGS2 (0.52) PTGS2EPHX2CYSLTR2CYSLTR1SOAT1
SCHEMBL7721146 1.00 PTGS2 (0.52) PTGS2EPHX2CYSLTR2CYSLTR1SOAT1
SCHEMBL11434977 1.00 PTGS2 (0.52) PTGS2EPHX2CYSLTR2CYSLTR1SOAT1
SCHEMBL9428037 1.00 PTGS2 (0.52) PTGS2EPHX2CYSLTR2CYSLTR1SOAT1
SCHEMBL6765848 0.98 PTGS2 (0.51) PTGS2EPHX2CYSLTR2CYSLTR1SOAT1
SCHEMBL8595709 0.93 PTGS2 (0.51) PTGS2EPHX2CYSLTR2CYSLTR1SOAT1
SCHEMBL7760109 0.86 PTGS2 (0.47) PTGS2EPHX2SOAT1MEN1LMNA
SCHEMBL19630504 0.85 PTGS2 (0.50) PTGS2EPHX2CYSLTR2CYSLTR1SOAT1
SCHEMBL9428247 0.83 HDAC1 (0.46) PTGS2MEN1LMNATHRBBLM

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 11 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-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-4871771-A PHENYL SUBSTITUTED-DITHIA-ALKANEDIOIC ACIDS SMITHKLINE BECKMAN CORPORATION (US) 1989-10-03 US disclosed
EP-0327306-A2 Leukotriene B4 antagonists SMITHKLINE BEECHAM CORPORATION (US) 1989-08-09 EP disclosed
US-4820719-A ANTIALLERGENS, ANTIINFLAMMATORY, ANTIISCHEMIC AND HYPOTENSIVE AGENTS SMITHKLINE BECKMAN CORPORATION (US) 1989-04-11 US disclosed
US-4730005-A DITHIA-ALKANEDIOIC ACIDS SMITHKLINE BECKMAN CORPORATION (US) 1988-03-08 US disclosed
EP-0168902-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1987-09-30 EP disclosed
EP-0168902-A1 Leukotriene antagonists SMITHKLINE BECKMAN CORPORATION (US) 1986-01-22 EP disclosed