SCHEMBL9503928

SCHEMBL9503928

CCCCCCCCCCCCc1ccccc1C(CC(=O)O)SCCC(=O)NS(=O)(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 16/20 0.59
CYSLTR1 Q9Y271 16/20 0.59
EPHX2 P34913 1/20 0.45

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
SCHEMBL9503601 0.85 CYSLTR2 (0.48) CYSLTR2CYSLTR1EPHX2
SCHEMBL9160518 0.84 CYSLTR2 (0.80) CYSLTR2CYSLTR1
SCHEMBL9397875 0.84 CYSLTR2 (0.80) CYSLTR2CYSLTR1
SCHEMBL9559922 0.84 CYSLTR2 (0.63) CYSLTR2CYSLTR1
SCHEMBL9503582 0.83 CYSLTR2 (0.72) CYSLTR2CYSLTR1
SCHEMBL10424952 0.81 CYSLTR2 (0.60) CYSLTR2CYSLTR1
SCHEMBL9506698 0.78 CYSLTR2 (0.68) CYSLTR2CYSLTR1
SCHEMBL9560120 0.75 CYSLTR2 (0.74) CYSLTR2CYSLTR1
SCHEMBL9155567 0.74 CYSLTR2 (1.00) CYSLTR2CYSLTR1
SCHEMBL9155578 0.74 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 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