SCHEMBL9560085

SCHEMBL9560085

O=C(O)CCSC(CC(=O)O)c1cc(C(F)(F)F)ccc1CCCCCCCCc1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 15/20 0.79
CYSLTR1 Q9Y271 15/20 0.79
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
RXRA P19793 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
HDAC3 O15379 1/20 0.40
MAPK1 P28482 1/20 0.40
ADRA1A P35348 1/20 0.40
HDAC4 P56524 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC1 Q13547 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 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
SCHEMBL9506696 0.91 CYSLTR2 (0.71) CYSLTR2CYSLTR1RXRANR1H2NR1H3
SCHEMBL9560077 0.89 CYSLTR2 (0.69) CYSLTR2CYSLTR1RXRANR1H2NR1H3
SCHEMBL10482165 0.89 CYSLTR2 (1.00) CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL9155578 0.84 CYSLTR2 (1.00) CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL9155567 0.84 CYSLTR2 (1.00) CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL9386199 0.82 CYSLTR2 (0.98) CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL10482092 0.82 CYSLTR2 (0.84) CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL9560054 0.80 CYSLTR2 (0.62) CYSLTR2CYSLTR1
SCHEMBL10811066 0.80 CYSLTR2 (0.70) CYSLTR2CYSLTR1MAPTRXFP1RXRA
SCHEMBL10482219 0.79 CYSLTR2 (0.78) CYSLTR2CYSLTR1

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
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 claimed
EP-0202759-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1990-06-20 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