SCHEMBL3968072

SCHEMBL3968072

CCOC(=O)CCCOc1ccc(Oc2ccc(CN(Cc3ccccc3)c3cccc([N+](=O)[O-])c3C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 11/20 0.50
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LTA4H P09960 6/20 0.47
PGR P06401 2/20 0.47
NR3C2 P08235 2/20 0.47
AR P10275 2/20 0.47
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL3964376 0.97 LTA4H (0.48) NR3C1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3967169 0.95 NR3C1 (0.57) NR3C1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3967607 0.92 NR3C1 (0.55) NR3C1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3964029 0.91 NR3C1 (0.54) NR3C1LTA4HPGRNR3C2AR
SCHEMBL3968546 0.90 NR3C1 (0.46) NR3C1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3965883 0.84 NR3C1 (0.64) NR3C1PGRNR3C2ARALDH1A1
SCHEMBL3965886 0.84 NR3C1 (0.64) NR3C1PGRNR3C2ARALDH1A1
SCHEMBL3972153 0.84 NR3C1 (0.51) NR3C1PGRNR3C2AR
SCHEMBL3969104 0.84 NR3C1 (0.52) NR3C1PGRNR3C2ARALDH1A1
SCHEMBL3971896 0.82 NR3C1 (0.52) NR3C1PGRNR3C2ARALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363876-B1 GLUCOCORTICOID RECEPTOR MODULATORS KAROBIO AB (SE) 2009-07-29 EP disclosed
EP-1363876-A1 GLUCOCORTICOID RECEPTOR MODULATORS Abbott Laboratories (US) 2003-11-26 EP disclosed
US-6583180-B2 Antidiabetic agents ABBOTT LABORATORIES 2003-06-24 US disclosed
WO-2002064550-A1 GLUCOCORTICOID RECEPTOR MODULATORS ABBOTT LABORATORIES (US) 2002-08-22 WO disclosed