SCHEMBL4442297

SCHEMBL4442297

CCOc1cccc(SCC(I)(NS(=O)(=O)c2c(C)cc(C)cc2C)C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 8/20 0.44
NR3C2 P08235 5/20 0.44
PGR P06401 4/20 0.44
MEN1 O00255 2/20 0.37
TSHR P16473 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
MAPK1 P28482 1/20 0.36
KAT6A Q92794 2/20 0.36
CYP2D6 P10635 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL4438777 0.84 NR3C1 (0.45) NR3C1NR3C2PGRMEN1TSHR
SCHEMBL4446762 0.84 NR3C1 (0.45) NR3C1NR3C2PGRMEN1TSHR
SCHEMBL4439498 0.80 NR3C1 (0.44) NR3C1NR3C2PGRMEN1TSHR
SCHEMBL4446869 0.79 NR3C1 (0.44) NR3C1NR3C2PGRMEN1TSHR
SCHEMBL4439570 0.78 NR3C1 (0.45) NR3C1NR3C2PGRMEN1TSHR
SCHEMBL4437812 0.78 NR3C1 (0.45) NR3C1NR3C2PGRMEN1TSHR
SCHEMBL3213496 0.78 NR3C1 (0.71) NR3C1NR3C2PGR
SCHEMBL4436507 0.77 NR3C1 (0.42) NR3C1NR3C2PGRMEN1TSHR
SCHEMBL4442446 0.77 NR3C1 (0.40) NR3C1NR3C2PGRMEN1TSHR
SCHEMBL4439493 0.76 NR3C1 (0.43) NR3C1NR3C2PGRMEN1TSHR

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