SCHEMBL4488616

SCHEMBL4488616

COc1ccc(F)cc1C(C)(C)CC(O)(CN1CC[SH+]([O-])CC1)C(F)(F)F

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 20/20 0.73
NR3C2 P08235 14/20 0.67
PGR P06401 2/20 0.57

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
SCHEMBL4491262 0.88 NR3C1 (0.80) NR3C1NR3C2PGR
SCHEMBL4485663 0.87 NR3C1 (0.78) NR3C1NR3C2PGR
SCHEMBL6255071 0.86 NR3C1 (0.77) NR3C1NR3C2PGR
SCHEMBL4477233 0.86 NR3C1 (0.77) NR3C1NR3C2PGR
SCHEMBL4470589 0.85 NR3C1 (0.73) NR3C1NR3C2PGR
SCHEMBL6808269 0.85 NR3C1 (0.73) NR3C1NR3C2PGR
SCHEMBL4488562 0.85 NR3C1 (0.76) NR3C1NR3C2PGR
SCHEMBL4473423 0.85 NR3C1 (0.76) NR3C1NR3C2PGR
SCHEMBL4477600 0.85 NR3C1 (0.76) NR3C1NR3C2PGR
SCHEMBL6226670 0.85 NR3C1 (0.76) NR3C1NR3C2PGR

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-7579469-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-25 US claimed