SCHEMBL11028359

SCHEMBL11028359

COC(=O)[C@H]1C2C(CC[C@@]3(C)C2[C@@H]2C[C@@H]2[C@]32CCC(=O)O2)[C@@]2(C)C=CC(=O)C=C2[C@H]1C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGR P06401 11/20 0.51
AR P10275 10/20 0.51
ABCC4 O15439 2/20 0.51
ABCB11 O95342 2/20 0.51
NR3C1 P04150 2/20 0.51
LMNA P02545 1/20 0.51
CHRM2 P08172 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2B P41595 1/20 0.51
CYP3A4 P08684 2/20 0.38
HIF1A Q16665 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NR1I2 O75469 1/20 0.38
PDE4D Q08499 1/20 0.38
CYP19A1 P11511 6/20 0.37

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
SCHEMBL11028614 0.85 PGR (0.69) PGRARABCC4ABCB11NR3C1
SCHEMBL11028634 0.82 PGR (0.49) PGRARABCC4ABCB11NR3C1
Spirorenone SCHEMBL8002313 0.81 PGR (0.68) PGRARABCC4ABCB11NR3C1
Spirorenone SCHEMBL29666355 0.81 PGR (0.68) PGRARABCC4ABCB11NR3C1
SCHEMBL11026949 0.76 PGR (0.71) PGRARABCC4ABCB11NR3C1
Mespirenone SCHEMBL18218179 0.76 PGR (0.48) PGRARABCC4ABCB11NR3C1
Mespirenone SCHEMBL637071 0.76 PGR (0.48) PGRARABCC4ABCB11NR3C1
SCHEMBL18218184 0.73 PGR (0.50) PGRARABCC4ABCB11NR3C1
SCHEMBL11028223 0.72 PGR (0.62) PGRARABCC4ABCB11NR3C1
SCHEMBL16329005 0.71 PGR (0.79) PGRARABCC4ABCB11NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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
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