SCHEMBL9560087

SCHEMBL9560087

CCCCCCCCc1ccccc1C(SCC(=O)O)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 13/20 0.76
CYSLTR1 Q9Y271 13/20 0.76
BID P55957 3/20 0.44
MCL1 Q07820 3/20 0.44
BCL2L1 Q07817 2/20 0.44
BAK1 Q16611 2/20 0.44
KAT8 Q9H7Z6 2/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
EP300 Q09472 1/20 0.44
KAT2A Q92830 1/20 0.44
KAT2B Q92831 1/20 0.44
KAT5 Q92993 1/20 0.44
SAE1 Q9UBE0 1/20 0.44

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
SCHEMBL9559989 1.00 CYSLTR2 (0.76) CYSLTR2CYSLTR1BIDMCL1BCL2L1
SCHEMBL9560190 1.00 CYSLTR2 (0.76) CYSLTR2CYSLTR1BIDMCL1BCL2L1
SCHEMBL9560041 0.88 CYSLTR2 (0.59) CYSLTR2CYSLTR1BIDMCL1BCL2L1
SCHEMBL9560029 0.87 CYSLTR2 (0.77) CYSLTR2CYSLTR1
SCHEMBL9864623 0.87 CYSLTR2 (0.77) CYSLTR2CYSLTR1
SCHEMBL9158808 0.87 CYSLTR2 (0.77) CYSLTR2CYSLTR1
SCHEMBL10482306 0.86 CYSLTR2 (1.00) CYSLTR2CYSLTR1
SCHEMBL9559806 0.86 CYSLTR2 (0.78) CYSLTR2CYSLTR1
SCHEMBL9560192 0.82 CYSLTR2 (0.56) CYSLTR2CYSLTR1BIDMCL1BCL2L1
SCHEMBL9559931 0.82 CYSLTR2 (0.56) CYSLTR2CYSLTR1BIDMCL1BCL2L1

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