SCHEMBL9507512

SCHEMBL9507512

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 9/20 0.46
CYSLTR1 Q9Y271 9/20 0.46
PPARA Q07869 5/20 0.42
LARS1 Q9P2J5 1/20 0.38
EPHX2 P34913 1/20 0.38
BID P55957 3/20 0.37
MCL1 Q07820 3/20 0.37
BCL2L1 Q07817 2/20 0.37
BAK1 Q16611 2/20 0.37
KAT8 Q9H7Z6 2/20 0.37
PPARG P37231 1/20 0.37
EP300 Q09472 1/20 0.37
KAT2A Q92830 1/20 0.37
KAT2B Q92831 1/20 0.37
KAT5 Q92993 1/20 0.37
SAE1 Q9UBE0 1/20 0.37

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
SCHEMBL9503588 0.79 CYSLTR2 (0.46) CYSLTR2CYSLTR1PPARALARS1EPHX2
SCHEMBL9560060 0.77 CYSLTR2 (0.57) CYSLTR2CYSLTR1PPARABIDMCL1
SCHEMBL9503601 0.77 CYSLTR2 (0.48) CYSLTR2CYSLTR1PPARALARS1EPHX2
Bicarbonate SCHEMBL10424354 0.72 CYSLTR2 (0.55) CYSLTR2CYSLTR1PPARABIDMCL1
SCHEMBL9559931 0.71 CYSLTR2 (0.56) CYSLTR2CYSLTR1BIDMCL1BCL2L1
SCHEMBL9559989 0.71 CYSLTR2 (0.76) CYSLTR2CYSLTR1PPARABIDMCL1
SCHEMBL9560087 0.71 CYSLTR2 (0.76) CYSLTR2CYSLTR1PPARABIDMCL1
SCHEMBL9560190 0.71 CYSLTR2 (0.76) CYSLTR2CYSLTR1PPARABIDMCL1
SCHEMBL9560194 0.71 CYSLTR2 (0.52) CYSLTR2CYSLTR1PPARABIDMCL1
SCHEMBL10424352 0.71 CYSLTR2 (0.54) CYSLTR2CYSLTR1PPARABIDMCL1

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