SCHEMBL9560309

SCHEMBL9560309

CCCCCCCCCCCOc1ccc(Br)cc1C(SCC(=O)O)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 7/20 0.66
CYSLTR1 Q9Y271 7/20 0.66
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
PTPN11 Q06124 5/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
S1PR3 Q99500 1/20 0.42
PLA2G4B P0C869 2/20 0.42

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
SCHEMBL9560112 0.85 CYSLTR2 (0.67) CYSLTR2CYSLTR1PLA2G4B
SCHEMBL9560036 0.83 CYSLTR2 (0.63) CYSLTR2CYSLTR1NPSR1PLA2G4B
SCHEMBL9560171 0.83 CYSLTR2 (0.63) CYSLTR2CYSLTR1NPSR1PLA2G4B
SCHEMBL9559867 0.83 CYSLTR2 (0.68) CYSLTR2CYSLTR1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL10482299 0.80 CYSLTR2 (1.00) CYSLTR2CYSLTR1
SCHEMBL10448487 0.79 CYSLTR2 (0.55) CYSLTR2CYSLTR1PLA2G4B
SCHEMBL9485399 0.77 CYSLTR2 (0.52) CYSLTR2CYSLTR1ALDH1A1HPGDPTPN11
SCHEMBL10448298 0.76 CYSLTR2 (0.54) CYSLTR2CYSLTR1PLA2G4B
SCHEMBL10448473 0.74 CYSLTR2 (0.52) CYSLTR2CYSLTR1PLA2G4B
SCHEMBL3991652 0.73 PTPN11 (0.67) CYSLTR2CYSLTR1ALDH1A1HPGDPTPN11

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