SCHEMBL4828435

SCHEMBL4828435

O=C(O)n1ccc2c(C(O)(c3ccc4c(cnn4-c4ccc(F)cc4)c3)C(F)(F)F)cccc21

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 19/20 0.66
SMO Q99835 1/20 0.46
PGR P06401 2/20 0.46

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
SCHEMBL4273809 0.88 NR3C1 (0.60) NR3C1SMOPGR
SCHEMBL4286626 0.86 NR3C1 (0.69) NR3C1PGR
SCHEMBL4276388 0.84 NR3C1 (0.61) NR3C1SMOPGR
SCHEMBL4274590 0.83 NR3C1 (0.65) NR3C1SMOPGR
SCHEMBL4286574 0.83 NR3C1 (0.79) NR3C1PGR
SCHEMBL4287940 0.82 NR3C1 (0.59) NR3C1SMO
SCHEMBL4279984 0.82 NR3C1 (0.64) NR3C1SMOPGR
SCHEMBL4286581 0.80 NR3C1 (0.61) NR3C1PGR
SCHEMBL3015225 0.79 NR3C1 (0.64) NR3C1SMOPGR
SCHEMBL4277484 0.79 NR3C1 (0.69) NR3C1PGR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893588-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2008-03-05 EP claimed
WO-2006135826-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-21 WO claimed