SCHEMBL6544603

SCHEMBL6544603

COc1cccc2c1-c1ccc3c(c1C(c1cccc(OCS(C)(=O)=O)c1)O2)C(C)=CC(C)(C)N3

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 20/20 0.80
▸ NR3C2 P08235 4/20 0.79
▸ AR P10275 4/20 0.79
▸ PGR P06401 5/20 0.68

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
SCHEMBL4178899 0.89 NR3C1 (1.00) NR3C1NR3C2ARPGR
SCHEMBL4172146 0.89 NR3C1 (0.84) NR3C1NR3C2ARPGR
SCHEMBL4182659 0.88 NR3C1 (1.00) NR3C1NR3C2ARPGR
SCHEMBL4186071 0.87 NR3C1 (0.82) NR3C1NR3C2ARPGR
SCHEMBL4181236 0.87 NR3C1 (0.81) NR3C1NR3C2ARPGR
SCHEMBL4165850 0.87 NR3C1 (0.81) NR3C1NR3C2ARPGR
SCHEMBL4182776 0.87 NR3C1 (0.81) NR3C1NR3C2ARPGR
SCHEMBL6290314 0.86 NR3C1 (0.75) NR3C1NR3C2ARPGR
SCHEMBL4176197 0.86 NR3C1 (0.80) NR3C1NR3C2ARPGR
SCHEMBL4170528 0.86 NR3C1 (0.80) NR3C1NR3C2ARPGR

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
EP-1375517-A1 Structure of a glucocorticoid receptor ligand binding domain comprising an expanded binding pocket and methods employing same SMITHKLINE BEECHAM CORPORATION (US) 2004-01-02 — — EP disclosed
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