SCHEMBL9503582

SCHEMBL9503582

O=C(O)CCSC(CC(=O)NS(=O)(=O)c1ccccc1)c1ccccc1CCCCCCCCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 16/20 0.72
CYSLTR1 Q9Y271 16/20 0.72
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HDAC1 Q13547 1/20 0.39

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
SCHEMBL9505650 0.89 CYSLTR2 (0.73) CYSLTR2CYSLTR1
SCHEMBL9155578 0.84 CYSLTR2 (1.00) CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL9155567 0.84 CYSLTR2 (1.00) CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL9503928 0.83 CYSLTR2 (0.59) CYSLTR2CYSLTR1
SCHEMBL9386199 0.83 CYSLTR2 (0.98) CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL10431544 0.82 CYSLTR2 (0.47) CYSLTR2CYSLTR1HDAC1
SCHEMBL9503586 0.76 CYSLTR2 (0.79) CYSLTR2CYSLTR1
SCHEMBL10482179 0.76 CYSLTR2 (1.00) CYSLTR2CYSLTR1
SCHEMBL10482194 0.76 CYSLTR2 (1.00) CYSLTR2CYSLTR1
SCHEMBL9561419 0.75 CYSLTR2 (0.70) 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 6 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
US-4954513-A Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-09-04 US claimed
EP-0375348-A1 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-06-27 EP claimed
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