SCHEMBL9503559

SCHEMBL9503559

COC(=O)C(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(SCCC(=O)O)c1ccccc1CCCCCCCCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 17/20 0.56
CYSLTR1 Q9Y271 17/20 0.56

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
SCHEMBL9507465 0.94 CYSLTR2 (0.48) CYSLTR2CYSLTR1
SCHEMBL9503926 0.81 CYSLTR2 (0.37) CYSLTR2CYSLTR1
SCHEMBL9560824 0.79 CYSLTR2 (0.72) CYSLTR2CYSLTR1
SCHEMBL9559948 0.79 CYSLTR2 (0.72) CYSLTR2CYSLTR1
SCHEMBL9560059 0.79 CYSLTR2 (0.57) CYSLTR2CYSLTR1
SCHEMBL9430241 0.74 CYSLTR2 (0.67) CYSLTR2CYSLTR1
SCHEMBL9503905 0.74 CYSLTR2 (0.67) CYSLTR2CYSLTR1
Pobilukast SCHEMBL29473536 0.73 CYSLTR2 (1.00) CYSLTR2CYSLTR1
Pobilukast SCHEMBL125952 0.73 CYSLTR2 (1.00) CYSLTR2CYSLTR1
Pobilukast SCHEMBL6437479 0.73 CYSLTR2 (1.00) 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 3 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-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-06-23 EP disclosed
EP-0375348-A1 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-06-27 EP disclosed