SCHEMBL5740607

SCHEMBL5740607

COc1ccc(F)cc1C(C)(C)CC(O)(CC1CCCCC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.52
NR3C1 P04150 3/20 0.52
NR3C2 P08235 2/20 0.52
AR P10275 13/20 0.49
CYP2C19 P33261 1/20 0.47
ABCB11 O95342 1/20 0.47
ALB P02768 1/20 0.47
ADRA2C P18825 1/20 0.47
GHSR Q92847 1/20 0.47

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
SCHEMBL5742856 0.85 NR3C1 (0.53) PGRNR3C1NR3C2AR
SCHEMBL5743170 0.84 NR3C1 (0.65) PGRNR3C1NR3C2ARCYP2C19
SCHEMBL4618245 0.84 NR3C1 (0.57) PGRNR3C1NR3C2AR
SCHEMBL5740302 0.84 NR3C1 (0.55) PGRNR3C1NR3C2AR
SCHEMBL6326838 0.83 NR3C1 (0.55) PGRNR3C1NR3C2AR
SCHEMBL5740864 0.82 NR3C1 (0.54) PGRNR3C1NR3C2AR
SCHEMBL293084 0.79 PGR (0.82) PGRNR3C1NR3C2
SCHEMBL4148461 0.78 NR3C2 (0.50) PGRNR3C1NR3C2
SCHEMBL292542 0.78 NR3C1 (0.82) PGRNR3C1NR3C2AR
SCHEMBL5742841 0.74 NR3C1 (0.66) PGRNR3C1NR3C2AR

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-1467982-B1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL FORMULATIONS CONTAINING THEM, AND USES THEREOF BOEHRINGER INGELHEIM PHARMA (US) 2006-11-22 EP claimed
US-7189758-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical formulations, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-03-13 US disclosed
US-7189758-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical formulations, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-03-13 US disclosed
US-6960581-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical formulations, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-11-01 US disclosed