SCHEMBL11028634

SCHEMBL11028634

COC(=O)[C@@H]1CC2=CC(=O)C=C[C@]2(C)C2CC[C@@]3(C)C(C21)[C@@H]1C[C@@H]1[C@]31CCC(=O)O1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PGR P06401 12/20 0.49
AR P10275 12/20 0.49
NR3C1 P04150 3/20 0.49
LMNA P02545 3/20 0.49
ABCC4 O15439 1/20 0.49
ABCB11 O95342 1/20 0.49
CHRM2 P08172 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2B P41595 1/20 0.49
NR3C2 P08235 2/20 0.45
SHBG P04278 2/20 0.43
CYP19A1 P11511 2/20 0.41
MAPT P10636 2/20 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
SCHEMBL11028223 0.84 PGR (0.62) PGRARNR3C1LMNAABCC4
Mespirenone SCHEMBL637071 0.83 PGR (0.48) PGRARNR3C1LMNAABCC4
Mespirenone SCHEMBL18218179 0.83 PGR (0.48) PGRARNR3C1LMNAABCC4
Mespirenone SCHEMBL5796167 0.83 PGR (0.61) PGRARNR3C1LMNAABCC4
SCHEMBL18218184 0.82 PGR (0.50) PGRARNR3C1LMNAABCC4
SCHEMBL11028359 0.82 PGR (0.51) PGRARNR3C1LMNAABCC4
SCHEMBL11095036 0.79 SHBG (0.44) PGRARNR3C1LMNAABCC4
SCHEMBL11095042 0.79 SHBG (0.44) PGRARNR3C1LMNAABCC4
SCHEMBL11092026 0.77 PGR (0.59) PGRARNR3C1LMNAABCC4
Spirorenone SCHEMBL8002313 0.77 PGR (0.68) PGRARNR3C1LMNAABCC4

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