SCHEMBL9526909

SCHEMBL9526909

CCCn1cc(Cc2ccc(C(=O)NS(=O)(=O)c3ccccc3C)cc2OC)c2cc(CC3CCCN(C)C3=O)ccc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 3/20 0.57
EPHX2 P34913 3/20 0.57
PPARG P37231 3/20 0.57
CYSLTR1 Q9Y271 3/20 0.57
MEN1 O00255 1/20 0.56
PTGES O14684 1/20 0.56
XPO1 O14980 1/20 0.56
SLC22A2 O15244 1/20 0.56
ABCC4 O15439 1/20 0.56
NR1I2 O75469 1/20 0.56
ABCB11 O95342 1/20 0.56
EGFR P00533 1/20 0.56
NR3C1 P04150 1/20 0.56
PGR P06401 1/20 0.56
POLB P06746 1/20 0.56
ADRA2A P08913 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
MAPT P10636 1/20 0.56
RARB P10826 1/20 0.56
CYP2C9 P11712 1/20 0.56

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
SCHEMBL9527266 0.96 PLA2G4A (0.57) PLA2G4AEPHX2PPARGCYSLTR1
SCHEMBL9526799 0.92 PLA2G4A (0.56) PLA2G4AEPHX2PPARGCYSLTR1
SCHEMBL9526609 0.91 PLA2G4A (0.56) PLA2G4AEPHX2PPARGCYSLTR1
SCHEMBL9527970 0.89 EPHX2 (0.65) PLA2G4AEPHX2PPARGCYSLTR1MEN1
SCHEMBL9528080 0.87 PLA2G4A (0.56) PLA2G4AEPHX2PPARGCYSLTR1
SCHEMBL9528455 0.86 EPHX2 (0.62) PLA2G4AEPHX2PPARGCYSLTR1MEN1
SCHEMBL9527741 0.85 CYSLTR2 (0.54) CYSLTR1CYSLTR2
SCHEMBL9527319 0.84 CYSLTR2 (0.60) PLA2G4ACYSLTR1CYSLTR2
SCHEMBL9373246 0.83
SCHEMBL9528075 0.82 CYSLTR1 (0.66) PLA2G4AEPHX2PPARGCYSLTR1MEN1

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-0337767-B1 CYCLIC AMIDES ICI AMERICAS INC. (US) 1993-01-13 EP claimed
US-5047402-A Leukotriene Antagonists ICI AMERICAS INC. (US) 1991-09-10 US claimed
EP-0337767-A1 Cyclic amides ICI AMERICAS INC. (US) 1989-10-18 EP claimed
EP-0337767-B1 CYCLIC AMIDES ICI AMERICAS INC. (US) 1993-01-13 EP disclosed
US-5047402-A Leukotriene Antagonists ICI AMERICAS INC. (US) 1991-09-10 US disclosed
EP-0337767-A1 Cyclic amides ICI AMERICAS INC. (US) 1989-10-18 EP disclosed