SCHEMBL11118070

SCHEMBL11118070

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

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.86
NR3C2 P08235 5/20 0.68
PGR P06401 5/20 0.67
NR3C1 P04150 5/20 0.67
CYP3A4 P08684 4/20 0.67
LMNA P02545 4/20 0.67
HIF1A Q16665 3/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
MAPT P10636 3/20 0.67
KMT2A Q03164 3/20 0.67
NR1I2 O75469 2/20 0.67
MEN1 O00255 2/20 0.67
ADORA3 P0DMS8 2/20 0.67
SLC6A3 Q01959 2/20 0.67
HPGD P15428 1/20 0.67
MLNR O43193 1/20 0.67
HTT P42858 1/20 0.67
PDE4D Q08499 1/20 0.67
PDE3A Q14432 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67

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
SCHEMBL11118072 1.00 AR (0.86) ARNR3C2PGRNR3C1CYP3A4
SCHEMBL11229308 0.94 AR (0.89) ARNR3C2PGRNR3C1CYP3A4
SCHEMBL11020429 0.94 AR (0.89) ARNR3C2PGRNR3C1CYP3A4
Clascoterone SCHEMBL24358737 0.92 AR (1.00) ARNR3C2PGRNR3C1CYP3A4
Clascoterone SCHEMBL25297448 0.92 AR (1.00) ARNR3C2PGRNR3C1CYP3A4
Clascoterone SCHEMBL24688164 0.92 AR (1.00) ARNR3C2PGRNR3C1CYP3A4
SCHEMBL10937146 0.92 AR (0.86) ARNR3C2PGRNR3C1CYP3A4
Clascoterone SCHEMBL24688449 0.92 AR (1.00) ARNR3C2PGRNR3C1CYP3A4
Clascoterone SCHEMBL24687898 0.92 AR (1.00) ARNR3C2PGRNR3C1CYP3A4
Clascoterone SCHEMBL1231152 0.92 AR (1.00) ARNR3C2PGRNR3C1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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