SCHEMBL4448878

SCHEMBL4448878

Cc1cc(C)c(S(=O)(=O)NC(I)(COc2ccc(C#N)cc2)C(F)(F)F)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 7/20 0.43
NR3C2 P08235 7/20 0.43
PGR P06401 5/20 0.43
ALDH1A1 P00352 1/20 0.38
AR P10275 3/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
TBXA2R P21731 1/20 0.35

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
SCHEMBL4446665 0.91 NR3C2 (0.46) NR3C1NR3C2PGRMEN1CYP1A2
SCHEMBL4438824 0.87 NR3C1 (0.45) NR3C1NR3C2PGRALDH1A1MEN1
SCHEMBL4446867 0.86 PGR (0.39) NR3C1NR3C2PGRAR
SCHEMBL4441125 0.83 NR3C2 (0.44) NR3C1NR3C2PGRALDH1A1MEN1
SCHEMBL4448015 0.83 NR3C1 (0.41) NR3C1NR3C2PGRALDH1A1MEN1
SCHEMBL4440438 0.80 NR3C1 (0.41) NR3C1NR3C2PGRALDH1A1MEN1
SCHEMBL4438774 0.80 NR3C1 (0.52) NR3C1NR3C2PGRMEN1CYP1A2
SCHEMBL4446861 0.80 NR3C1 (0.45) NR3C1NR3C2PGRALDH1A1MEN1
SCHEMBL4441148 0.80 NR3C1 (0.45) NR3C1NR3C2PGRALDH1A1MEN1
SCHEMBL4442284 0.78 MEN1 (0.40) NR3C1NR3C2PGRMEN1CYP1A2

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
EP-2136811-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2009-12-30 EP disclosed
WO-2008124745-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-16 WO disclosed