SCHEMBL9560192

SCHEMBL9560192

CCCCCCCCCCCCc1ccccc1C(SCCC#N)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 16/20 0.56
CYSLTR1 Q9Y271 16/20 0.56
BID P55957 2/20 0.40
BCL2L1 Q07817 2/20 0.40
MCL1 Q07820 2/20 0.40
BAK1 Q16611 2/20 0.40

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
SCHEMBL9559832 0.88 CYSLTR2 (0.50) CYSLTR2CYSLTR1
SCHEMBL9158808 0.84 CYSLTR2 (0.77) CYSLTR2CYSLTR1
SCHEMBL9864623 0.84 CYSLTR2 (0.77) CYSLTR2CYSLTR1
SCHEMBL9560029 0.84 CYSLTR2 (0.77) CYSLTR2CYSLTR1
SCHEMBL9559806 0.83 CYSLTR2 (0.78) CYSLTR2CYSLTR1
SCHEMBL10448312 0.83 CYSLTR2 (0.40) CYSLTR2CYSLTR1
SCHEMBL9560087 0.82 CYSLTR2 (0.76) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9560190 0.82 CYSLTR2 (0.76) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9559989 0.82 CYSLTR2 (0.76) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9559931 0.81 CYSLTR2 (0.56) CYSLTR2CYSLTR1BIDBCL2L1MCL1

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-0202759-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1990-06-20 EP claimed
US-4874792-A RESPIRATORY SYSTEM DISORDERS SMITHKLINE BECKMAN CORPORATION (US) 1989-10-17 US claimed
EP-0202759-A2 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1986-11-26 EP claimed
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