SCHEMBL9503586

SCHEMBL9503586

COC(=O)CCSC(CC(=O)O)c1ccccc1CCCCCCCCc1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 17/20 0.79
CYSLTR1 Q9Y271 17/20 0.79

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
SCHEMBL9561482 0.94 CYSLTR2 (0.70) CYSLTR2CYSLTR1
SCHEMBL9561419 0.94 CYSLTR2 (0.70) CYSLTR2CYSLTR1
SCHEMBL9155567 0.89 CYSLTR2 (1.00) CYSLTR2CYSLTR1
SCHEMBL9155578 0.89 CYSLTR2 (1.00) CYSLTR2CYSLTR1
SCHEMBL9386199 0.88 CYSLTR2 (0.98) CYSLTR2CYSLTR1
SCHEMBL9501467 0.85 CYSLTR2 (0.57) CYSLTR2CYSLTR1
SCHEMBL9560002 0.83 CYSLTR2 (0.58) CYSLTR2CYSLTR1
SCHEMBL9506698 0.83 CYSLTR2 (0.68) CYSLTR2CYSLTR1
SCHEMBL9561427 0.82 CYSLTR2 (0.62) CYSLTR2CYSLTR1
SCHEMBL9561489 0.82 CYSLTR2 (0.62) 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
EP-0375348-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-06-23 EP claimed
EP-0375348-A1 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-06-27 EP claimed
US-4937253-A LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1990-06-26 US claimed
EP-0365149-A2 Leukotriene antagonist prodrugs SMITHKLINE BEECHAM CORPORATION (US) 1990-04-25 EP claimed
EP-0375348-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-06-23 EP disclosed
US-5189226-A Chemical intermediate for diacid SMITHKLINE BEECHAM CORPORATION (US) 1993-02-23 US disclosed
US-4954513-A Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-09-04 US disclosed
EP-0375348-A1 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-06-27 EP disclosed
US-4937253-A LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1990-06-26 US disclosed
EP-0365149-A2 Leukotriene antagonist prodrugs SMITHKLINE BEECHAM CORPORATION (US) 1990-04-25 EP disclosed