SCHEMBL7213404

SCHEMBL7213404

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.52
SHBG P04278 1/20 0.46
CYP3A4 P08684 3/20 0.45
LMNA P02545 3/20 0.44
NFKB1 P19838 1/20 0.44
HIF1A Q16665 1/20 0.44
ABCB11 O95342 1/20 0.44
ESR1 P03372 1/20 0.44
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
CHRM2 P08172 1/20 0.44
ABCB1 P08183 1/20 0.44
NR3C2 P08235 1/20 0.44
AR P10275 1/20 0.44
CYP2C19 P33261 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRK1 P41145 1/20 0.44
HTR2B P41595 1/20 0.44
ESR2 Q92731 1/20 0.44
SLC47A1 Q96FL8 1/20 0.44

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
SCHEMBL7242829 0.80 LMNA (0.58) CYP19A1SHBGCYP3A4LMNAHIF1A
SCHEMBL18157022 0.71 LMNA (0.79) CYP19A1SHBGCYP3A4LMNANFKB1
SCHEMBL8013917 0.71 LMNA (0.79) CYP19A1SHBGCYP3A4LMNANFKB1
SCHEMBL18220875 0.71 LMNA (0.79) CYP19A1SHBGCYP3A4LMNANFKB1
SCHEMBL18218174 0.71 LMNA (0.79) CYP19A1SHBGCYP3A4LMNANFKB1
SCHEMBL7176569 0.71 AR (0.44) CYP19A1SHBGCYP3A4LMNANR3C1
SCHEMBL7176565 0.71 AR (0.44) CYP19A1SHBGCYP3A4LMNANR3C1
SCHEMBL20991078 0.71 LMNA (0.60) CYP19A1SHBGCYP3A4LMNANFKB1
SCHEMBL10887748 0.69 CYP3A4 (0.59) CYP19A1SHBGCYP3A4LMNANFKB1
SCHEMBL10887764 0.69 CYP3A4 (0.59) CYP19A1SHBGCYP3A4LMNANFKB1

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-1289507-A1 USE OF AN ALDOSTERONE ANTAGONIST FOR THE TREATMENT OR PROHPYLAXIS OF ALDOSTERONE-MEDIATED PATHOGENIC EFFECTS Pharmacia Corporation (US) 2003-03-12 EP disclosed
EP-1227804-A2 USE OF AN ALDOSTERONE ANTAGONIST FOR TREATING RESTENOSIS Pharmacia Corporation (US) 2002-08-07 EP disclosed
WO-2001095892-A1 USE OF AN ALDOSTERONE ANTAGONIST FOR THE TREATMENT OR PROHPYLAXIS OF ALDOSTERONE-MEDIATED PATHOGENIC EFFECTS PHARMACIA CORPORATION (US) 2001-12-20 WO disclosed
WO-2001034132-A2 USE OF AN ALDOSTERONE ANTAGONIST FOR TREATING RESTENOSIS PHARMACIA CORPORATION (US) 2001-05-17 WO disclosed