SCHEMBL11029288

SCHEMBL11029288

C[C@@H]1C2=CC(=O)CC[C@]2(C)C2CC[C@@]3(C)C(C2[C@@H]1C#N)[C@@H]1C[C@@H]1[C@]31CCC(=O)O1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGR P06401 11/20 0.71
AR P10275 11/20 0.71
LMNA P02545 1/20 0.71
ABCC4 O15439 1/20 0.71
ABCB11 O95342 1/20 0.71
NR3C1 P04150 1/20 0.71
CHRM2 P08172 1/20 0.71
HTR2A P28223 1/20 0.71
HTR2B P41595 1/20 0.71
CYP19A1 P11511 5/20 0.44
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
NFKB1 P19838 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL14668731 0.89 PGR (0.79) PGRARLMNAABCC4ABCB11
SCHEMBL18220876 0.89 PGR (0.79) PGRARLMNAABCC4ABCB11
SCHEMBL14256379 0.89 PGR (0.79) PGRARLMNAABCC4ABCB11
SCHEMBL8025172 0.89 PGR (0.79) PGRARLMNAABCC4ABCB11
SCHEMBL16329005 0.89 PGR (0.79) PGRARLMNAABCC4ABCB11
SCHEMBL11026949 0.84 PGR (0.71) PGRARLMNAABCC4ABCB11
SCHEMBL22171518 0.83 PGR (0.76) PGRARLMNAABCC4ABCB11
SCHEMBL22382732 0.83 PGR (0.76) PGRARLMNAABCC4ABCB11
SCHEMBL19067844 0.83 PGR (0.76) PGRARLMNAABCC4ABCB11
Drospirenone SCHEMBL22171517 0.83 PGR (1.00) PGRARLMNAABCC4ABCB11

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 3 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 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