SCHEMBL9633747

SCHEMBL9633747

COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cccc2ccc(N(C(C)=O)C3CCCC3)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.53
PPARG P37231 3/20 0.53
CYSLTR1 Q9Y271 3/20 0.53
PLA2G4A P47712 4/20 0.53
MEN1 O00255 1/20 0.53
PTGES O14684 1/20 0.53
XPO1 O14980 1/20 0.53
SLC22A2 O15244 1/20 0.53
ABCC4 O15439 1/20 0.53
NR1I2 O75469 1/20 0.53
ABCB11 O95342 1/20 0.53
EGFR P00533 1/20 0.53
NR3C1 P04150 1/20 0.53
PGR P06401 1/20 0.53
POLB P06746 1/20 0.53
ADRA2A P08913 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
MAPT P10636 1/20 0.53
RARB P10826 1/20 0.53
CYP2C9 P11712 1/20 0.53

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
SCHEMBL10882149 0.88 CYSLTR1 (0.57) EPHX2PPARGCYSLTR1PLA2G4AMEN1
SCHEMBL9633663 0.84 MTNR1A (0.38) CYSLTR1PLA2G4ANR1H4CYSLTR2
SCHEMBL9633828 0.83 PLA2G4A (0.45) CYSLTR1PLA2G4ACYSLTR2
SCHEMBL6518761 0.82 EPHX2 (0.71) EPHX2PPARGCYSLTR1PLA2G4AMEN1
SCHEMBL9634192 0.81
SCHEMBL9633734 0.81 CYSLTR1 (0.73) EPHX2PPARGCYSLTR1PLA2G4AMEN1
SCHEMBL8111577 0.80 PLA2G4A (0.68) EPHX2PPARGCYSLTR1PLA2G4AMEN1
SCHEMBL8125786 0.80 PLA2G4A (0.72) EPHX2PPARGCYSLTR1PLA2G4AMEN1
SCHEMBL8114767 0.79 PLA2G4A (0.62) EPHX2PPARGCYSLTR1PLA2G4AMEN1
SCHEMBL9633716 0.78

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-0337765-B1 ACYLSULFONAMIDE DERIVATIVES OF ALPHA-CARBOCYCLYLTOLUIC ACIDS USED AS LEUKOTRIENE ANTAGONISTS ICI AMERICAS INC. (US) 1992-10-14 EP claimed
US-5095038-A Antiinflammatory, antiallergens ICI AMERICAS INC. (US) 1992-03-10 US claimed
EP-0337765-A2 Acylsulfonamide derivatives of alpha-carbocyclyltoluic acids used as leukotriene antagonists ICI AMERICAS INC. (US) 1989-10-18 EP claimed
EP-0337765-B1 ACYLSULFONAMIDE DERIVATIVES OF ALPHA-CARBOCYCLYLTOLUIC ACIDS USED AS LEUKOTRIENE ANTAGONISTS ICI AMERICAS INC. (US) 1992-10-14 EP disclosed
US-5095038-A Antiinflammatory, antiallergens ICI AMERICAS INC. (US) 1992-03-10 US disclosed
EP-0337765-A2 Acylsulfonamide derivatives of alpha-carbocyclyltoluic acids used as leukotriene antagonists ICI AMERICAS INC. (US) 1989-10-18 EP disclosed