SCHEMBL14598809

SCHEMBL14598809

COC(=O)[C@@H]1CC2=CC(=O)CCC2(C)[C@@]23O[C@@H]2CC2C(CC[C@@]24CCC(=O)O4)C13

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.66
AR P10275 6/20 0.66
NR3C2 P08235 4/20 0.66
NR3C1 P04150 3/20 0.66
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
CYP17A1 P05093 1/20 0.35
SRD5A2 P31213 1/20 0.33
LMNA P02545 3/20 0.33
CYP3A4 P08684 2/20 0.33
NFKB1 P19838 1/20 0.33
HIF1A Q16665 1/20 0.33
ABCB11 O95342 1/20 0.33
ESR1 P03372 1/20 0.33
CHRM2 P08172 1/20 0.33
ABCB1 P08183 1/20 0.33
CYP2C19 P33261 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRK1 P41145 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL20554 0.84 PGR (0.58) PGRARNR3C2NR3C1ALDH1A1
Eplerenone SCHEMBL13061287 0.79 NR3C1 (1.00) PGRARNR3C2NR3C1ALDH1A1
Eplerenone SCHEMBL21515 0.79 NR3C1 (1.00) PGRARNR3C2NR3C1ALDH1A1
Eplerenone SCHEMBL14567731 0.79 NR3C1 (1.00) PGRARNR3C2NR3C1ALDH1A1
Eplerenone SCHEMBL14308852 0.79 NR3C1 (1.00) PGRARNR3C2NR3C1ALDH1A1
Eplerenone SCHEMBL13007056 0.79 NR3C1 (1.00) PGRARNR3C2NR3C1ALDH1A1
Eplerenone SCHEMBL16144481 0.79 NR3C1 (1.00) PGRARNR3C2NR3C1ALDH1A1
Eplerenone SCHEMBL1818157 0.79 NR3C1 (1.00) PGRARNR3C2NR3C1ALDH1A1
Eplerenone SCHEMBL14284960 0.79 NR3C1 (1.00) PGRARNR3C2NR3C1ALDH1A1
Eplerenone SCHEMBL19891818 0.79 NR3C1 (1.00) PGRARNR3C2NR3C1ALDH1A1

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
US-7157101-B2 Micronized eplerenone compositions G.D. SEARLE, LLC (US) 2007-01-02 US disclosed