SCHEMBL2006764

SCHEMBL2006764

COc1ccc(F)cc1-c1ccc(C(N[S+]([O-])CC(C)C)C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 5/20 0.46
PGR P06401 5/20 0.46
CASR P41180 7/20 0.46
MMEL1 Q495T6 1/20 0.38
ERN1 O75460 1/20 0.37
SYK P43405 1/20 0.36
FFAR4 Q5NUL3 2/20 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
SCHEMBL2006574 0.73 ERN1 (0.40) NR3C1PGRCASRMMEL1ERN1
SCHEMBL4971998 0.72 CASR (0.50) NR3C1PGRCASRMMEL1ERN1
Hydrochloric Acid SCHEMBL2006333 0.71 CASR (0.49) NR3C1PGRCASRMMEL1ERN1
SCHEMBL2155522 0.71 CTSL (0.74)
SCHEMBL2009504 0.70 CASR (0.49) NR3C1PGRCASRMMEL1ERN1
SCHEMBL2009918 0.70 CASR (0.49) NR3C1PGRCASRMMEL1ERN1
SCHEMBL2008074 0.68 NR3C1 (0.54) NR3C1PGRCASR
SCHEMBL2005613 0.67 NR3C1 (0.62) NR3C1PGRCASR
SCHEMBL2005610 0.67 NR3C1 (0.62) NR3C1PGRCASR
SCHEMBL7875700 0.65 ERN1 (0.50) NR3C1PGRMMEL1ERN1SYK

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