SCHEMBL2010050

SCHEMBL2010050

COc1ccc(F)cc1-c1ccc([C@@H](C)NS(=O)(=O)c2cc(C)oc2C)cc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 9/20 0.67
PGR P06401 7/20 0.67
CASR P41180 3/20 0.42
MMEL1 Q495T6 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ACHE P22303 1/20 0.38
CNR1 P21554 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL2006930 0.79 NR3C1 (0.78) NR3C1PGRCASRSMN1; SMN2
SCHEMBL2002566 0.79 NR3C1 (0.59) NR3C1PGRCASRMMEL1CA1
SCHEMBL2005613 0.78 NR3C1 (0.62) NR3C1PGRCASRHTT
SCHEMBL2005610 0.78 NR3C1 (0.62) NR3C1PGRCASRHTT
SCHEMBL2004253 0.75 NR3C1 (0.69) NR3C1PGRCASR
SCHEMBL2008107 0.75 NR3C1 (1.00) NR3C1PGRCASRCNR1
SCHEMBL2002847 0.69 NR3C1 (0.45) NR3C1PGRCASRCNR1
SCHEMBL2004275 0.69 NR3C1 (0.51) NR3C1PGRCNR1HTT
SCHEMBL2009504 0.68 CASR (0.49) NR3C1PGRCASRMMEL1
SCHEMBL2009918 0.68 CASR (0.49) NR3C1PGRCASRMMEL1

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