SCHEMBL9528455

SCHEMBL9528455

CCCN1CCC(Cc2ccc3c(c2)c(Cc2ccc(C(=O)NS(=O)(=O)c4ccccc4C)cc2OC)cn3C)C1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.62
PPARG P37231 3/20 0.62
CYSLTR1 Q9Y271 3/20 0.62
MEN1 O00255 1/20 0.61
PTGES O14684 1/20 0.61
XPO1 O14980 1/20 0.61
SLC22A2 O15244 1/20 0.61
ABCC4 O15439 1/20 0.61
NR1I2 O75469 1/20 0.61
ABCB11 O95342 1/20 0.61
EGFR P00533 1/20 0.61
NR3C1 P04150 1/20 0.61
PGR P06401 1/20 0.61
POLB P06746 1/20 0.61
ADRA2A P08913 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
MAPT P10636 1/20 0.61
RARB P10826 1/20 0.61
CYP2C9 P11712 1/20 0.61
CNR1 P21554 1/20 0.61

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
SCHEMBL9526799 0.95 PLA2G4A (0.56) EPHX2PPARGCYSLTR1PLA2G4A
SCHEMBL9527970 0.92 EPHX2 (0.65) EPHX2PPARGCYSLTR1MEN1PTGES
SCHEMBL9526609 0.92 PLA2G4A (0.56) EPHX2PPARGCYSLTR1PLA2G4A
SCHEMBL9527266 0.89 PLA2G4A (0.57) EPHX2PPARGCYSLTR1PLA2G4A
SCHEMBL9526909 0.86 PLA2G4A (0.57) EPHX2PPARGCYSLTR1MEN1PTGES
SCHEMBL9527659 0.85 CYSLTR1 (0.44) EPHX2PPARGCYSLTR1CYSLTR2
SCHEMBL9528075 0.85 CYSLTR1 (0.66) EPHX2PPARGCYSLTR1MEN1PTGES
SCHEMBL9526827 0.84 CYSLTR2 (0.50) CYSLTR1PLA2G4ACYSLTR2
SCHEMBL9528080 0.82 PLA2G4A (0.56) EPHX2PPARGCYSLTR1PLA2G4A
SCHEMBL9531909 0.80 CYSLTR1 (0.51) EPHX2PPARGCYSLTR1MEN1PTGES

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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