SCHEMBL7176565

SCHEMBL7176565

C=C1C[C@H]2[C@@H]3[C@H](C(=O)OC)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@H]1CCC(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.44
NR3C1 P04150 2/20 0.44
PGR P06401 2/20 0.44
NR3C2 P08235 1/20 0.44
SHBG P04278 1/20 0.43
CYP19A1 P11511 6/20 0.43
CYP3A4 P08684 6/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
CYP17A1 P05093 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
OPRK1 P41145 1/20 0.40
MAPT P10636 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40

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
SCHEMBL7176569 1.00 AR (0.44) ARNR3C1PGRNR3C2SHBG
SCHEMBL7431433 0.76 SHBG (0.52) ARNR3C1PGRNR3C2SHBG
SCHEMBL6840979 0.74 CYP3A4 (0.55) ARNR3C1PGRNR3C2SHBG
SCHEMBL6840982 0.74 CYP3A4 (0.55) ARNR3C1PGRNR3C2SHBG
SCHEMBL3275154 0.73 LMNA (0.53) ARNR3C1PGRNR3C2SHBG
Mexrenoate SCHEMBL19874044 0.72 TDP1 (0.59) ARNR3C1PGRNR3C2SHBG
Mexrenoate SCHEMBL6705068 0.72 TDP1 (0.59) ARNR3C1PGRNR3C2SHBG
Mexrenoate SCHEMBL6705061 0.72 TDP1 (0.59) ARNR3C1PGRNR3C2SHBG
Mexrenoate SCHEMBL11692751 0.72 TDP1 (0.59) ARNR3C1PGRNR3C2SHBG
SCHEMBL7237238 0.72 CYP3A4 (0.45) ARNR3C1PGRNR3C2SHBG

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-1280533-A2 ALDOSTERONE ANTAGONIST COMPOSITION FOR RELEASE DURING ALDOSTERONE ACROPHASE Pharmacia Corporation (US) 2003-02-05 EP disclosed
EP-1175220-A2 NANOPARTICULATE EPLERENONE COMPOSITIONS Pharmacia Corporation (US) 2002-01-30 EP disclosed
WO-2001087284-A2 ALDOSTERONE ANTAGONIST COMPOSITION FOR RELEASE DURING ALDOSTERONE ACROPHASE PHARMACIA CORPORATION (US) 2001-11-22 WO disclosed
WO-2001041770-A2 NANOPARTICULATE EPLERENONE COMPOSITIONS PHARMACIA CORPORATION (US) 2001-06-14 WO disclosed