SCHEMBL2008128

SCHEMBL2008128

COc1ccc(C)cc1-c1ccc([C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 8/20 0.54
PGR P06401 6/20 0.54
ACLY P53396 2/20 0.52
MCL1 Q07820 1/20 0.38
TSHR P16473 1/20 0.38
CTSA P10619 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NMT1 P30419 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ACHE P22303 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
CNR1 P21554 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 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
SCHEMBL2006413 0.82 ACLY (0.44) NR3C1PGRACLYTSHRALDH1A1
SCHEMBL2004253 0.81 NR3C1 (0.69) NR3C1PGRACLYNMT1
SCHEMBL2003953 0.76 NR3C1 (0.44) NR3C1PGRACLYMCL1TSHR
SCHEMBL2006930 0.71 NR3C1 (0.78) NR3C1PGRMEN1ALDH1A1KMT2A
SCHEMBL2004063 0.70 ACLY (0.52) NR3C1PGRACLYMAPT
SCHEMBL2009577 0.69 NR3C1 (0.46) NR3C1PGRACLYTSHRSMN1; SMN2
SCHEMBL21930952 0.69 ACLY (1.00) ACLY
SCHEMBL2004275 0.67 NR3C1 (0.51) NR3C1PGRTSHRMEN1ALDH1A1
SCHEMBL2008107 0.65 NR3C1 (1.00) NR3C1PGRCNR1
SCHEMBL5234949 0.65 CASR (0.47) CTSAALDH1A1ACHECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960365-B2 Compounds with medicinal effects due to interaction with the glucocorticoid receptor N.V. ORGANON (NL) 2011-06-14 US disclosed