SCHEMBL2484059

SCHEMBL2484059

CC1=Cc2c(cnn2-c2ccc(F)cc2)C[C@@]1(C)CCCC(C)(O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 10/20 0.49
GLUL P15104 3/20 0.49
PGR P06401 1/20 0.43

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
SCHEMBL1142125 0.89 NR3C1 (0.54) NR3C1GLULPGR
SCHEMBL1142123 0.89 NR3C1 (0.54) NR3C1GLULPGR
SCHEMBL4740125 0.82 NR3C1 (0.49) NR3C1PGR
SCHEMBL1141746 0.82 NR3C1 (0.49) NR3C1GLULPGR
SCHEMBL1141748 0.82 NR3C1 (0.49) NR3C1GLULPGR
SCHEMBL2484058 0.82 NR3C1 (0.49) NR3C1GLULPGR
SCHEMBL1141799 0.81 NR3C1 (0.50) NR3C1GLULPGR
SCHEMBL1141802 0.81 NR3C1 (0.50) NR3C1GLULPGR
SCHEMBL4742113 0.80 NR3C1 (0.51) NR3C1PGR
SCHEMBL1142457 0.80 NR3C1 (0.51) NR3C1GLUL

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-1896424-B1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2011-09-21 EP claimed