SCHEMBL5740302

SCHEMBL5740302

COc1cc(NC(=O)C(O)(CC2CCCCC2)CC(C)(C)c2cc(F)ccc2OC)cc(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 18/20 0.55
NR3C2 P08235 11/20 0.55
PGR P06401 7/20 0.55
AR P10275 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL6326838 0.92 NR3C1 (0.55) NR3C1NR3C2PGRAR
SCHEMBL5740864 0.91 NR3C1 (0.54) NR3C1NR3C2PGRAR
SCHEMBL4618245 0.91 NR3C1 (0.57) NR3C1NR3C2PGRAR
SCHEMBL5742856 0.90 NR3C1 (0.53) NR3C1NR3C2PGRAR
SCHEMBL4148461 0.85 NR3C2 (0.50) NR3C1NR3C2PGR
SCHEMBL5740607 0.84 PGR (0.52) NR3C1NR3C2PGRAR
SCHEMBL293084 0.83 PGR (0.82) NR3C1NR3C2PGR
SCHEMBL292542 0.81 NR3C1 (0.82) NR3C1NR3C2PGRAR
SCHEMBL5742193 0.80 NR3C1 (0.69) NR3C1NR3C2PGRARNPC1
SCHEMBL5742903 0.80 NR3C1 (0.69) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1467982-B1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL FORMULATIONS CONTAINING THEM, AND USES THEREOF BOEHRINGER INGELHEIM PHARMA (US) 2006-11-22 EP claimed
US-7189758-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical formulations, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-03-13 US disclosed
US-7189758-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical formulations, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-03-13 US disclosed
US-6960581-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical formulations, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-11-01 US disclosed