SCHEMBL11027166

SCHEMBL11027166

COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)C2CC[C@@]3(C)C(C21)[C@@H]1C[C@@H]1[C@@]3(O)CCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.49
NR3C1 P04150 2/20 0.47
PGR P06401 2/20 0.47
NR3C2 P08235 1/20 0.47
SHBG P04278 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.42
SERPINA6 P08185 1/20 0.42
CYP3A4 P08684 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
ADRA1A P35348 1/20 0.41

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
SCHEMBL11027165 1.00 AR (0.49) ARNR3C1PGRNR3C2SHBG
SCHEMBL6708645 1.00 AR (0.49) ARNR3C1PGRNR3C2SHBG
SCHEMBL10947065 0.99 AR (0.49) ARNR3C1PGRNR3C2SHBG
SCHEMBL10955541 0.99 AR (0.49) ARNR3C1PGRNR3C2SHBG
Potassium Ion SCHEMBL10947070 0.92 TDP1 (0.54) ARNR3C1PGRNR3C2SHBG
Potassium Ion SCHEMBL10955544 0.92 TDP1 (0.54) ARNR3C1PGRNR3C2SHBG
SCHEMBL10950282 0.91 AR (0.50) ARNR3C1PGRNR3C2SHBG
SCHEMBL10962358 0.90 NR3C1 (0.45) ARNR3C1PGRNR3C2SHBG
SCHEMBL11110788 0.85 MEN1 (0.60) ARSHBGALDH1A1MEN1KMT2A
SCHEMBL11114508 0.85 MEN1 (0.60) ARSHBGALDH1A1MEN1KMT2A

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-0061418-A1 7-Alpha-alkoxycarbonyl-15-beta-16-beta-methylene-4 androstene, process for their preparation and their utilization as pharmaceutical preparations SCHERING AKTIENGESELLSCHAFT (DE) 1982-09-29 EP claimed
EP-0061418-B1 7-ALPHA-ALKOXYCARBONYL-15-BETA-16-BETA-METHYLENE-4 ANDROSTENE, PROCESS FOR THEIR PREPARATION AND THEIR UTILIZATION AS PHARMACEUTICAL PREPARATIONS SCHERING AKTIENGESELLSCHAFT (DE) 1985-08-21 EP disclosed
US-4450107-A 7α-Alkoxycarbonyl-15β,16β-methylene-4-androstenes, process for the preparation thereof, and use thereof as medicinal agents SCHERING AKTIENGESELLSCHAFT (DE) 1984-05-22 US disclosed
EP-0061418-A1 7-Alpha-alkoxycarbonyl-15-beta-16-beta-methylene-4 androstene, process for their preparation and their utilization as pharmaceutical preparations SCHERING AKTIENGESELLSCHAFT (DE) 1982-09-29 EP disclosed