SCHEMBL8937896

SCHEMBL8937896

COC(C(=O)O)C(c1ccccc1CCCCCCCCc1ccccc1)S(=O)(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.42
PTGER4 P35408 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
CYSLTR2 Q9NS75 3/20 0.41
CYSLTR1 Q9Y271 3/20 0.41
TAS2R14 Q9NYV8 3/20 0.40
PDE4A P27815 5/20 0.40
PDE4B Q07343 5/20 0.40
PDE4C Q08493 5/20 0.40
PDE4D Q08499 5/20 0.40
MMP1 P03956 4/20 0.40
MMP2 P08253 4/20 0.40
MMP3 P08254 4/20 0.40
PLA2G4B P0C869 2/20 0.39
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BID P55957 1/20 0.38
BCL2L1 Q07817 1/20 0.38
MCL1 Q07820 1/20 0.38

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
SCHEMBL9364232 1.00 PTGER1 (0.42) PTGER1PTGER4PTGER3PTGER2CYSLTR2
SCHEMBL9364503 0.80 CYSLTR2 (0.47) PTGER1PTGER4PTGER3PTGER2CYSLTR2
SCHEMBL8937745 0.80 CYSLTR2 (0.47) PTGER1PTGER4PTGER3PTGER2CYSLTR2
SCHEMBL9428739 0.77 PTGER1 (0.46) PTGER1PTGER4PTGER3PTGER2CYSLTR2
SCHEMBL9485489 0.76 CYSLTR2 (0.38) PTGER2CYSLTR2CYSLTR1BIDBCL2L1
SCHEMBL9430238 0.74 CYSLTR2 (0.48) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9856680 0.73 CYSLTR2 (0.46) CYSLTR2CYSLTR1
SCHEMBL9428630 0.71 CYSLTR2 (0.45) PTGER1PTGER4PTGER3PTGER2CYSLTR2
SCHEMBL9429049 0.71 CYSLTR2 (0.45) PTGER1PTGER4PTGER3PTGER2CYSLTR2
SCHEMBL9559793 0.70 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0675877-A4 A PROCESS FOR PREPARING SULFONES. SMITHKLINE BEECHAM CORP (US) 1996-07-31 EP claimed
EP-0675877-A1 A PROCESS FOR PREPARING SULFONES SMITHKLINE BEECHAM CORPORATION (US) 1995-10-11 EP claimed
WO-1994021603-A1 A PROCESS FOR PREPARING SULFONES SMITHKLINE BEECHAM CORPORATION (US) 1994-09-29 WO claimed
US-5314918-A Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1994-05-24 US claimed
EP-0675877-A4 A PROCESS FOR PREPARING SULFONES. SMITHKLINE BEECHAM CORP (US) 1996-07-31 EP disclosed
EP-0675877-A1 A PROCESS FOR PREPARING SULFONES SMITHKLINE BEECHAM CORPORATION (US) 1995-10-11 EP disclosed
WO-1994021603-A1 A PROCESS FOR PREPARING SULFONES SMITHKLINE BEECHAM CORPORATION (US) 1994-09-29 WO disclosed
US-5314918-A Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1994-05-24 US disclosed
EP-0403249-B1 Leukotriene antagonists SMITHKLINE BEECHAM CORP (US) 1994-04-27 EP disclosed