SCHEMBL11028614

SCHEMBL11028614

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 15/20 0.69
AR P10275 15/20 0.69
NR3C1 P04150 6/20 0.69
LMNA P02545 4/20 0.69
ABCB11 O95342 3/20 0.69
CHRM2 P08172 3/20 0.69
ABCC4 O15439 2/20 0.69
HTR2B P41595 2/20 0.69
HTR2A P28223 1/20 0.69
CYP19A1 P11511 1/20 0.43
NR3C2 P08235 4/20 0.41
CYP2C19 P33261 2/20 0.41
HIF1A Q16665 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 3/20 0.41
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
ALDH1A1 P00352 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
SCHEMBL11026949 0.91 PGR (0.71) PGRARNR3C1LMNAABCB11
SCHEMBL14668731 0.87 PGR (0.79) PGRARNR3C1LMNAABCB11
SCHEMBL14256379 0.87 PGR (0.79) PGRARNR3C1LMNAABCB11
SCHEMBL18220876 0.87 PGR (0.79) PGRARNR3C1LMNAABCB11
SCHEMBL8025172 0.87 PGR (0.79) PGRARNR3C1LMNAABCB11
SCHEMBL16329005 0.87 PGR (0.79) PGRARNR3C1LMNAABCB11
SCHEMBL11028359 0.85 PGR (0.51) PGRARNR3C1LMNAABCB11
SCHEMBL11029288 0.82 PGR (0.71) PGRARNR3C1LMNAABCB11
Drospirenone SCHEMBL3073676 0.82 PGR (0.93) PGRARNR3C1LMNAABCB11
SCHEMBL22171518 0.82 PGR (0.76) PGRARNR3C1LMNAABCB11

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
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