SCHEMBL13754609

SCHEMBL13754609

CC(C)(CC(O)(Cn1ccc(=O)c2ccccc21)C(F)(F)F)c1ccccc1CN1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 18/20 0.66
NR3C2 P08235 13/20 0.66
PGR P06401 11/20 0.66
KDM1A O60341 1/20 0.36
CYP2A13 Q16696 1/20 0.36

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
SCHEMBL4474764 0.87 NR3C1 (0.61) NR3C1NR3C2PGRCYP2A13
SCHEMBL4469152 0.87 NR3C1 (0.61) NR3C1NR3C2PGRCYP2A13
SCHEMBL4468861 0.86 NR3C1 (0.69) NR3C1NR3C2PGR
SCHEMBL4469118 0.84 NR3C1 (0.66) NR3C1NR3C2PGR
SCHEMBL4472464 0.83 NR3C1 (0.70) NR3C1NR3C2PGR
SCHEMBL4478157 0.80 NR3C1 (0.80) NR3C1NR3C2PGR
SCHEMBL4477613 0.80 NR3C1 (1.00) NR3C1NR3C2PGR
SCHEMBL291599 0.78 NR3C1 (0.73) NR3C1NR3C2PGR
SCHEMBL292589 0.78 NR3C1 (1.00) NR3C1NR3C2PGR
SCHEMBL292268 0.77 NR3C1 (1.00) NR3C1NR3C2PGR

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
US-7579469-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-25 US disclosed
US-7579469-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-25 US disclosed