SCHEMBL9560076

SCHEMBL9560076

CC(C)(C)OC(=O)C(CSCCC(=O)O)c1cc(C(F)(F)F)ccc1CCCCCCCCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 13/20 0.64
CYSLTR1 Q9Y271 13/20 0.64
RXRA P19793 4/20 0.47
NR1H2 P55055 4/20 0.47
NR1H3 Q13133 2/20 0.47
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL9506690 0.91 CYSLTR2 (0.66) CYSLTR2CYSLTR1RXRANR1H2NR1H3
SCHEMBL9560077 0.81 CYSLTR2 (0.69) CYSLTR2CYSLTR1RXRANR1H2NR1H3
SCHEMBL10482165 0.78 CYSLTR2 (1.00) CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL9560179 0.76 CYSLTR2 (0.56) CYSLTR2CYSLTR1RXRANR1H2NR1H3
SCHEMBL9560085 0.76 CYSLTR2 (0.79) CYSLTR2CYSLTR1RXRANR1H2NR1H3
SCHEMBL9506696 0.75 CYSLTR2 (0.71) CYSLTR2CYSLTR1RXRANR1H2NR1H3
SCHEMBL10811066 0.74 CYSLTR2 (0.70) CYSLTR2CYSLTR1RXRANR1H2NR1H3
SCHEMBL10424350 0.73 CYSLTR2 (0.52) CYSLTR2CYSLTR1RXRANR1H2NR1H3
SCHEMBL10482092 0.72 CYSLTR2 (0.84) CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL9560187 0.71 CYSLTR2 (0.51) CYSLTR2CYSLTR1RXRANR1H2NR1H3

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 10 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-5189226-A Chemical intermediate for diacid SMITHKLINE BEECHAM CORPORATION (US) 1993-02-23 US 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
US-4937253-A LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1990-06-26 US disclosed
EP-0202759-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1990-06-20 EP disclosed
EP-0365149-A2 Leukotriene antagonist prodrugs SMITHKLINE BEECHAM CORPORATION (US) 1990-04-25 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
EP-0202759-A2 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1986-11-26 EP disclosed