SCHEMBL764322

SCHEMBL764322

Bc1ccc(C(c2ccccc2)C(C)(C)C(=O)O)s1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 8/20 0.37
CYP2C19 P33261 1/20 0.34
PGR P06401 2/20 0.34
AR P10275 2/20 0.34
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP2D6 P10635 2/20 0.33
ATM Q13315 1/20 0.33
CYP1A2 P05177 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AOC3 Q16853 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL14207656 0.85 HDAC4 (0.37) CES2CES1
SCHEMBL10331380 0.85 NR3C1 (0.37) NR3C1CYP2C19PGRARCES2
SCHEMBL2896278 0.78 NR3C1 (0.47) NR3C1PGRARCES2CES1
SCHEMBL14207511 0.76 NR3C1 (0.68) NR3C1PGRAR
SCHEMBL14207676 0.72 HDAC4 (0.38) CYP2C19CES2CES1CYP2D6LMNA
SCHEMBL12592391 0.72 MEN1 (0.47) NR3C1PGRARCYP1A2LMNA
SCHEMBL10331384 0.72 HDAC4 (0.40) CYP2C19CES2CES1CYP1A2LMNA
SCHEMBL754423 0.72 HDAC4 (0.40) CYP2C19CES2CES1CYP1A2LMNA
SCHEMBL10197988 0.70 GABBR2 (0.42) CYP2C19CES2CES1LMNA
SCHEMBL2900773 0.69 CNR2 (0.42) NR3C1CYP2C19PGRARL3MBTL1

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-2078015-B1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2012-03-21 EP disclosed