SCHEMBL7692852

SCHEMBL7692852

COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1c[nH]c2ccc(N(C)C(=O)O)cc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.56
CYSLTR1 Q9Y271 2/20 0.56
PLA2G4A P47712 3/20 0.50
MEN1 O00255 1/20 0.50
PTGES O14684 1/20 0.50
XPO1 O14980 1/20 0.50
SLC22A2 O15244 1/20 0.50
ABCC4 O15439 1/20 0.50
NR1I2 O75469 1/20 0.50
ABCB11 O95342 1/20 0.50
EGFR P00533 1/20 0.50
NR3C1 P04150 1/20 0.50
PGR P06401 1/20 0.50
POLB P06746 1/20 0.50
ADRA2A P08913 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
MAPT P10636 1/20 0.50
RARB P10826 1/20 0.50
CYP2C9 P11712 1/20 0.50
CNR1 P21554 1/20 0.50

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
SCHEMBL3922851 0.92 CYSLTR2 (0.64) CYSLTR2CYSLTR1PLA2G4AMEN1PTGES
SCHEMBL21812554 0.86 CYSLTR1 (0.66) CYSLTR2CYSLTR1PLA2G4AMEN1PTGES
SCHEMBL10882149 0.85 CYSLTR1 (0.57) CYSLTR2CYSLTR1PLA2G4AMEN1PTGES
SCHEMBL14860952 0.84 CYSLTR1 (0.63) CYSLTR2CYSLTR1PLA2G4AMEN1PTGES
N-Dealkylated Derivative SCHEMBL14862820 0.81 CYSLTR2 (0.83) CYSLTR2CYSLTR1PLA2G4AMEN1PTGES
SCHEMBL4773609 0.80
SCHEMBL14862821 0.79 CYSLTR1 (0.64) CYSLTR2CYSLTR1PLA2G4AMEN1PTGES
SCHEMBL8951644 0.79 CYSLTR1 (0.71) CYSLTR2CYSLTR1PLA2G4AMEN1PTGES
SCHEMBL4773611 0.73
SCHEMBL22768779 0.73 EPHX2 (0.70) CYSLTR1EPHX2PPARG

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
WO-2002038545-A2 CRYSTALLINE ETHANOLATE SOLVATE FORM OF ZAFIRLUKAST, PROCESS FOR MANUFACTURE AND PHARMACEUTICAL COMPOSITIONS THEREOF FINETECH LABORATORIES LTD. (IL) 2002-05-16 WO disclosed