SCHEMBL9586166

SCHEMBL9586166

COc1cc(C(=O)NS(=O)(=O)c2ccccc2I)ccc1C(C)c1c[nH]c2ccc(NC(=O)OC3CCCC3)cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 7/20 0.60
CYSLTR1 Q9Y271 7/20 0.60
PLA2G4A P47712 4/20 0.53
EPHX2 P34913 2/20 0.53
PPARG P37231 2/20 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

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
SCHEMBL4117791 0.93 PLA2G4A (0.61) CYSLTR2CYSLTR1PLA2G4AEPHX2PPARG
SCHEMBL8951207 0.92 PLA2G4A (0.61) CYSLTR2CYSLTR1PLA2G4AEPHX2PPARG
SCHEMBL6357802 0.91 CYSLTR1 (0.73) CYSLTR2CYSLTR1PLA2G4AEPHX2PPARG
SCHEMBL9120313 0.90 CYSLTR2 (0.58) CYSLTR2CYSLTR1PLA2G4AEPHX2PPARG
SCHEMBL9499619 0.90 CYSLTR2 (0.58) CYSLTR2CYSLTR1PLA2G4AEPHX2PPARG
SCHEMBL8951514 0.90 CYSLTR1 (0.72) CYSLTR2CYSLTR1PLA2G4AEPHX2PPARG
SCHEMBL9397674 0.90 CYSLTR2 (0.59) CYSLTR2CYSLTR1PLA2G4AEPHX2PPARG
SCHEMBL9585815 0.90 CYSLTR2 (0.57) CYSLTR2CYSLTR1PLA2G4AEPHX2PPARG
SCHEMBL9586022 0.89 CYSLTR2 (0.56) CYSLTR2CYSLTR1PLA2G4AEPHX2PPARG
SCHEMBL9586139 0.89 CYSLTR2 (0.56) CYSLTR2CYSLTR1PLA2G4AEPHX2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5248693-A Antiallergens, antiinflammatory agents CIBA-GEIGY CORPORATION (US) 1993-09-28 US disclosed