SCHEMBL9485489

SCHEMBL9485489

COC(C(=O)O)C(c1ccccc1CCCCCCCCc1ccccc1)S(=O)(=O)Cc1ccc(C(=O)O)s1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 4/20 0.38
CYSLTR1 Q9Y271 4/20 0.38
BID P55957 1/20 0.37
BCL2L1 Q07817 1/20 0.37
MCL1 Q07820 1/20 0.37
BAK1 Q16611 1/20 0.37
FAAH O00519 3/20 0.36
CES1 P23141 1/20 0.35
LTB4R Q15722 3/20 0.35
TP53 P04637 1/20 0.34
PTGER2 P43116 1/20 0.33

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
SCHEMBL9484753 0.87 CYSLTR2 (0.46) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9484155 0.80 CYSLTR2 (0.46) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9364232 0.76 PTGER1 (0.42) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL8937896 0.76 PTGER1 (0.42) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9430238 0.71 CYSLTR2 (0.48) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9484791 0.70 CYSLTR2 (0.62) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL8937745 0.69 CYSLTR2 (0.47) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9364503 0.69 CYSLTR2 (0.47) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9856680 0.67 CYSLTR2 (0.46) CYSLTR2CYSLTR1FAAHCES1
SCHEMBL9559793 0.67 CYSLTR2 (0.48) CYSLTR2CYSLTR1BIDBCL2L1MCL1

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-0532674-A4 LEUKOTRIENE ANTAGONISTS 1993-04-07 EP claimed
EP-0532674-A1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-03-24 EP claimed
WO-1991018889-A1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1991-12-12 WO claimed
EP-0532674-A4 LEUKOTRIENE ANTAGONISTS 1993-04-07 EP disclosed
EP-0532674-A1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-03-24 EP disclosed
WO-1991018889-A1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1991-12-12 WO disclosed