SCHEMBL12378937

SCHEMBL12378937

CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2c(-c3cccc(CO)c3)ncn2c1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 20/20 0.80
PGR P06401 2/20 0.55
AR P10275 2/20 0.55

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
SCHEMBL12378928 0.89 NR3C1 (1.00) NR3C1PGR
SCHEMBL2355220 0.87 NR3C1 (1.00) NR3C1PGRAR
SCHEMBL2355016 0.85 NR3C1 (1.00) NR3C1PGRAR
SCHEMBL12378887 0.85 NR3C1 (1.00) NR3C1PGRAR
SCHEMBL12417590 0.85 NR3C1 (0.86) NR3C1PGRAR
SCHEMBL12417266 0.83 NR3C1 (1.00) NR3C1PGRAR
SCHEMBL12378884 0.83 NR3C1 (0.81) NR3C1PGRAR
SCHEMBL2355721 0.81 NR3C1 (0.73) NR3C1PGRAR
SCHEMBL12378888 0.81 NR3C1 (1.00) NR3C1PGRAR
SCHEMBL12378940 0.80 NR3C1 (0.73) NR3C1PGRAR

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-7994190-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-09 US disclosed