SCHEMBL8937745

SCHEMBL8937745

COC(C(=O)O)C(Sc1ccc(C(=O)O)cc1)c1ccccc1CCCCCCCCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 4/20 0.47
CYSLTR1 Q9Y271 4/20 0.47
PLA2G4B P0C869 3/20 0.43
PLA2G4A P47712 1/20 0.43
PTGER1 P34995 1/20 0.42
PTGER4 P35408 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
PLA2G2A P14555 1/20 0.41
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
BID P55957 1/20 0.39
BCL2L1 Q07817 1/20 0.39
MCL1 Q07820 1/20 0.39
BAK1 Q16611 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
SCHEMBL9364503 1.00 CYSLTR2 (0.47) CYSLTR2CYSLTR1PLA2G4BPLA2G4APTGER1
SCHEMBL9428739 0.97 PTGER1 (0.46) CYSLTR2CYSLTR1PLA2G4BPLA2G4APTGER1
SCHEMBL9856680 0.92 CYSLTR2 (0.46) CYSLTR2CYSLTR1
SCHEMBL9429346 0.85 CYSLTR2 (0.43) CYSLTR2CYSLTR1
SCHEMBL9364884 0.85 CYSLTR2 (0.62) CYSLTR2CYSLTR1PLA2G4BPLA2G4APTGER1
SCHEMBL9364882 0.85 CYSLTR2 (0.62) CYSLTR2CYSLTR1PLA2G4BPLA2G4APTGER1
SCHEMBL9364232 0.80 PTGER1 (0.42) CYSLTR2CYSLTR1PLA2G4BPLA2G4APTGER1
SCHEMBL9503595 0.80 CYSLTR2 (0.57) CYSLTR2CYSLTR1
SCHEMBL8937896 0.80 PTGER1 (0.42) CYSLTR2CYSLTR1PLA2G4BPLA2G4APTGER1
SCHEMBL9428630 0.80 CYSLTR2 (0.45) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3

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 12 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
EP-0296732-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1991-10-09 EP claimed
EP-0296732-A1 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1988-12-28 EP 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-0296732-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1991-10-09 EP disclosed
EP-0403249-A1 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-12-19 EP disclosed
EP-0296732-A1 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1988-12-28 EP disclosed