SCHEMBL13618797

SCHEMBL13618797

COc1ccc([N+](=O)[O-])cc1OCc1c(-c2ccc(OS(=O)(=O)C(C)CC(F)(F)F)cc2OC)ccc2c1C(C)=CC(C)(C)N2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PGR P06401 9/20 0.39
NR3C1 P04150 5/20 0.37
AR P10275 3/20 0.37
NR3C2 P08235 2/20 0.37
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
IL6 P05231 2/20 0.34
CYP19A1 P11511 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
PTBP1 P26599 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NQO1 P15559 1/20 0.32

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
SCHEMBL1315283 0.91 PGR (0.42) PGRNR3C1ARNR3C2MAPT
SCHEMBL1780838 0.88 PGR (0.40) PGRNR3C1ARNR3C2MAPT
SCHEMBL4417572 0.87 PGR (0.42) PGRNR3C1ARNR3C2MAPT
SCHEMBL4429174 0.87 PGR (0.44) PGRNR3C1ARNR3C2MAPT
SCHEMBL1315405 0.86 PGR (0.42) PGRNR3C1ARNR3C2MAPT
SCHEMBL14847583 0.85 PGR (0.48) PGRNR3C1ARNR3C2MAPT
SCHEMBL1316094 0.85 PGR (0.42) PGRNR3C1ARNR3C2MAPT
SCHEMBL1314463 0.84 PGR (0.45) PGRNR3C1ARNR3C2MAPT
SCHEMBL1315958 0.83 PGR (0.43) PGRNR3C1ARNR3C2MAPT
SCHEMBL448504 0.82 PGR (0.46) PGRNR3C1ARNR3C2IL6

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-2009139361-A1 GLUCOCORTICOID RECEPTOR AGONIST COMPOSED OF 2,2,4-TRIMETHYL-6-PHENYL-1,2-DIHYDROQUINOLINE DERIVATIVE HAVING SUBSTITUTED OXY GROUP 参天製薬株式会社 (JP) 2009-11-19 WO disclosed