SCHEMBL9503601

SCHEMBL9503601

CCCCCCCCCCCCc1ccccc1C(CC(=O)O)SC(C)C(=O)NS(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 12/20 0.48
CYSLTR1 Q9Y271 12/20 0.48
LARS1 Q9P2J5 1/20 0.40
PPARA Q07869 2/20 0.38
EPHX2 P34913 1/20 0.37
S1PR2 O95136 1/20 0.35
S1PR1 P21453 1/20 0.35

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
SCHEMBL9503928 0.85 CYSLTR2 (0.59) CYSLTR2CYSLTR1EPHX2
SCHEMBL9503588 0.84 CYSLTR2 (0.46) CYSLTR2CYSLTR1LARS1PPARAEPHX2
SCHEMBL10431544 0.78 CYSLTR2 (0.47) CYSLTR2CYSLTR1
SCHEMBL9507512 0.77 CYSLTR2 (0.46) CYSLTR2CYSLTR1LARS1PPARAEPHX2
SCHEMBL9504777 0.76 CYSLTR2 (0.57) CYSLTR2CYSLTR1LARS1
SCHEMBL9484597 0.74 CYSLTR2 (0.63) CYSLTR2CYSLTR1PPARAS1PR2S1PR1
SCHEMBL19119201 0.74 CYSLTR2 (0.63) CYSLTR2CYSLTR1PPARAS1PR2S1PR1
SCHEMBL9160518 0.74 CYSLTR2 (0.80) CYSLTR2CYSLTR1
SCHEMBL9397875 0.74 CYSLTR2 (0.80) CYSLTR2CYSLTR1
SCHEMBL9560197 0.74 CYSLTR2 (0.65) 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