SCHEMBL6447018

SCHEMBL6447018

CC(=O)O[C@@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.65
MAPT P10636 2/20 0.65
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
CYP19A1 P11511 10/20 0.56
CYP3A4 P08684 4/20 0.56
ABCC4 O15439 1/20 0.52
ABCB11 O95342 1/20 0.52
ALDH1A1 P00352 1/20 0.52
ESR1 P03372 1/20 0.52
NR3C1 P04150 1/20 0.52
SHBG P04278 1/20 0.52
PGR P06401 1/20 0.52
CHRM2 P08172 1/20 0.52
NR3C2 P08235 1/20 0.52
AR P10275 1/20 0.52
CHRM1 P11229 1/20 0.52
HRH2 P25021 1/20 0.52
AKR1C3 P42330 1/20 0.52
AKR1C2 P52895 1/20 0.52

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
SCHEMBL6449571 1.00 LMNA (0.65) LMNAMAPTMEN1KMT2ACYP19A1
SCHEMBL11817969 0.91 LMNA (0.62) LMNAMAPTMEN1KMT2ACYP19A1
SCHEMBL10938075 0.90 LMNA (0.61) LMNAMAPTMEN1KMT2ACYP19A1
SCHEMBL10938070 0.90 LMNA (0.61) LMNAMAPTMEN1KMT2ACYP19A1
SCHEMBL9501753 0.90 LMNA (0.61) LMNAMAPTMEN1KMT2ACYP19A1
SCHEMBL10891579 0.89 LMNA (0.65) LMNAMAPTMEN1KMT2ACYP19A1
SCHEMBL10936974 0.89 LMNA (0.60) LMNAMAPTMEN1KMT2ACYP19A1
SCHEMBL10938022 0.89 LMNA (0.60) LMNAMAPTMEN1KMT2ACYP19A1
SCHEMBL10936998 0.89 LMNA (0.60) LMNAMAPTMEN1KMT2ACYP19A1
SCHEMBL10938025 0.89 LMNA (0.60) LMNAMAPTMEN1KMT2ACYP19A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501858-A2 FURTHER SYNTHESES OF CYPROTERONE ACETATE BOEHRINGER INGELHEIM INTERNATIONAL GmbH (DE) 2005-02-02 EP disclosed
WO-2003092578-A2 FURTHER SYNTHESES OF CYPROTERONE ACETATE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2003-11-13 WO disclosed
EP-1359154-A1 Further syntheses of cyproterone acetate BOEHRINGER INGELHEIM INTERNATIONAL GmbH (DE) 2003-11-05 EP disclosed
EP-0071178-B1 ACYLOXYSTEROIDS AND PROCESS FOR PRODUCING SAME MITSUBISHI KASEI CORPORATION (JP) 1985-10-16 EP disclosed
US-4440689-A Acyloxysteroids and process for producing same MITSUBISHI CHEMICAL INDUSTRIES, LIMITED (JP) 1984-04-03 US disclosed
EP-0071178-A1 Acyloxysteroids and process for producing same MITSUBISHI KASEI CORPORATION (JP) 1983-02-09 EP disclosed