SCHEMBL10313404

SCHEMBL10313404

[C-]#[N+]c1c(CC(O)(CC(C)(C)c2cccc(F)c2)C(F)(F)F)[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 20/20 0.51
PGR P06401 13/20 0.51
NR3C2 P08235 14/20 0.44
CYP3A4 P08684 2/20 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
SCHEMBL10313407 0.90 NR3C1 (0.47) NR3C1PGRNR3C2CYP3A4
SCHEMBL10313406 0.89 NR3C1 (0.43) NR3C1PGRNR3C2CYP3A4
SCHEMBL5781547 0.86 NR3C1 (0.56) NR3C1PGRNR3C2CYP3A4
SCHEMBL5798149 0.86 NR3C1 (0.54) NR3C1PGRNR3C2CYP3A4
SCHEMBL10313405 0.84 NR3C1 (0.64) NR3C1PGRNR3C2
SCHEMBL10313408 0.83 NR3C1 (0.55) NR3C1PGRNR3C2
SCHEMBL1633971 0.82 NR3C1 (0.51) NR3C1PGRNR3C2CYP3A4
SCHEMBL10313400 0.78 NR3C1 (0.65) NR3C1PGRNR3C2
SCHEMBL10313399 0.76 NR3C1 (0.63) NR3C1PGRNR3C2
SCHEMBL1633476 0.76 NR3C1 (0.72) NR3C1PGRNR3C2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8212040-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
US-7932392-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2011-04-26 US disclosed
US-7553966-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-30 US disclosed