SCHEMBL2006413

SCHEMBL2006413

CCOc1ccc(Cl)cc1-c1ccc([C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACLY P53396 2/20 0.44
NR3C1 P04150 6/20 0.43
PGR P06401 6/20 0.43
TYR P14679 2/20 0.41
FPR2 P25090 1/20 0.40
PROKR1 Q8TCW9 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
BCL2 P10415 1/20 0.37
BCL2L1 Q07817 1/20 0.37
CCR2 P41597 1/20 0.37
AGPAT2 O15120 2/20 0.37
SGK1 O00141 1/20 0.37

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
SCHEMBL2003953 0.86 NR3C1 (0.44) ACLYNR3C1PGRALDH1A1TSHR
SCHEMBL2008128 0.82 NR3C1 (0.54) ACLYNR3C1PGRALDH1A1TSHR
SCHEMBL2004253 0.71 NR3C1 (0.69) ACLYNR3C1PGRFPR2PROKR1
SCHEMBL2004063 0.70 ACLY (0.52) ACLYNR3C1PGRFPR2PROKR1
SCHEMBL2005434 0.68 AGPAT2 (0.48) TSHRPTGDR2AGPAT2
SCHEMBL2007267 0.68 AGPAT2 (0.48) TSHRPTGDR2AGPAT2
SCHEMBL2009577 0.67 NR3C1 (0.46) ACLYNR3C1PGRTSHR
SCHEMBL2004275 0.65 NR3C1 (0.51) NR3C1PGRALDH1A1TSHR
SCHEMBL2784654 0.63 AGPAT2 (0.55) ALDH1A1TSHRPTGDR2AGPAT2
SCHEMBL2006930 0.62 NR3C1 (0.78) NR3C1PGRALDH1A1

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