SCHEMBL4475160

SCHEMBL4475160

CC(C)(CC(O)(Cn1ccc(=O)c2c1CCCC2)C(F)(F)F)c1cc(S(C)(=O)=O)cc2c1OCC2

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 20/20 0.53
NR3C2 P08235 17/20 0.53
PGR P06401 14/20 0.52

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
SCHEMBL291812 0.89 NR3C1 (0.52) NR3C1NR3C2PGR
SCHEMBL4467422 0.88 NR3C1 (0.52) NR3C1NR3C2PGR
SCHEMBL13754608 0.88 NR3C1 (0.51) NR3C1NR3C2PGR
SCHEMBL5798431 0.87 NR3C1 (0.55) NR3C1NR3C2PGR
SCHEMBL290888 0.84 NR3C1 (0.75) NR3C1NR3C2PGR
SCHEMBL292222 0.83 NR3C1 (0.55) NR3C1NR3C2PGR
SCHEMBL292301 0.83 NR3C1 (0.55) NR3C1NR3C2PGR
SCHEMBL291462 0.83 NR3C1 (0.52) NR3C1NR3C2PGR
SCHEMBL4161029 0.82 NR3C1 (0.51) NR3C1NR3C2PGR
SCHEMBL4487196 0.82 NR3C1 (0.58) 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 3 patents. 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 disclosed
US-7579469-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-25 US disclosed
US-7579469-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-25 US disclosed