SCHEMBL9528075

SCHEMBL9528075

COc1cc(C(=O)NS(=O)(=O)c2ccccc2Cl)ccc1Cc1cn(C)c2ccc(CC3CCN(C)C3=O)cc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 8/20 0.66
CYSLTR2 Q9NS75 6/20 0.66
EPHX2 P34913 3/20 0.55
PPARG P37231 3/20 0.55
MEN1 O00255 1/20 0.55
PTGES O14684 1/20 0.55
XPO1 O14980 1/20 0.55
SLC22A2 O15244 1/20 0.55
ABCC4 O15439 1/20 0.55
NR1I2 O75469 1/20 0.55
ABCB11 O95342 1/20 0.55
EGFR P00533 1/20 0.55
NR3C1 P04150 1/20 0.55
PGR P06401 1/20 0.55
POLB P06746 1/20 0.55
ADRA2A P08913 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
MAPT P10636 1/20 0.55
RARB P10826 1/20 0.55
CYP2C9 P11712 1/20 0.55

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
SCHEMBL9527970 0.92 EPHX2 (0.65) CYSLTR1CYSLTR2EPHX2PPARGMEN1
SCHEMBL9528720 0.89 CYSLTR1 (0.52) CYSLTR1CYSLTR2EPHX2PPARGMEN1
SCHEMBL9527266 0.85 PLA2G4A (0.57) CYSLTR1EPHX2PPARGPLA2G4A
SCHEMBL9528455 0.85 EPHX2 (0.62) CYSLTR1CYSLTR2EPHX2PPARGMEN1
SCHEMBL9526857 0.84 CYSLTR1 (0.44) CYSLTR1CYSLTR2EPHX2PPARGMEN1
SCHEMBL9531909 0.83 CYSLTR1 (0.51) CYSLTR1CYSLTR2EPHX2PPARGMEN1
SCHEMBL9526756 0.83 PLA2G4A (0.48) CYSLTR1CYSLTR2PLA2G4A
SCHEMBL9526909 0.82 PLA2G4A (0.57) CYSLTR1CYSLTR2EPHX2PPARGMEN1
SCHEMBL9488367 0.80 CYSLTR2 (0.62) CYSLTR1CYSLTR2
SCHEMBL9526799 0.80 PLA2G4A (0.56) CYSLTR1EPHX2PPARGPLA2G4A

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 2 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