SCHEMBL8633243

SCHEMBL8633243

CC(C)(NC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C=C(C#N)CC[C@]4(C)[C@H]3CC[C@]12C)c1ccco1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 12/20 0.60
SRD5A1 P18405 6/20 0.60
ESR1 P03372 1/20 0.40
AR P10275 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL8915812 0.90 SRD5A2 (0.75) SRD5A2SRD5A1
SCHEMBL8632772 0.90 SRD5A2 (0.75) SRD5A2SRD5A1
SCHEMBL8630916 0.87 SRD5A2 (0.64) SRD5A2SRD5A1
SCHEMBL8634494 0.86 SRD5A2 (0.77) SRD5A2SRD5A1
SCHEMBL8915126 0.85 SRD5A2 (0.59) SRD5A2SRD5A1ESR1ARESR2
SCHEMBL8633663 0.85 SRD5A2 (0.61) SRD5A2SRD5A1ESR1ARESR2
SCHEMBL8915306 0.85 SRD5A2 (0.58) SRD5A2SRD5A1ESR1ARESR2
SCHEMBL8634212 0.84 SRD5A2 (0.63) SRD5A2SRD5A1
SCHEMBL8633572 0.83 SRD5A2 (0.57) SRD5A2SRD5A1
SCHEMBL8634149 0.83 SRD5A2 (0.57) SRD5A2SRD5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5760025-A ADMINISTERING TESTOSTERONE 5A-REDUCTASE INHIBITORS SANKYO COMPANY, LIMITED (JP) 1998-06-02 US disclosed
US-5717088-A REACTING WITH A CYANOPHOSPHATE IN THE PRESENCE OF AN ALKALI METAL CYANIDE SANKYO COMPANY, LIMITED (JP) 1998-02-10 US disclosed
US-5698720-A INTERMEDIATES FOR TESTOSTERONE 5-ALPHA-REDUCTASE INHIBITORS SANKYO COMPANY, LIMITED (JP) 1997-12-16 US disclosed
EP-0567271-B1 Steroid derivatives for the treatment of prostatic hypertrophy, their preparation and uses SANKYO CO (JP) 1997-07-02 EP disclosed
EP-0725074-A2 Compounds suitable for use as intermediates in the preparation of Androst-3,5-dien-3-carboxy derivatives SANKYO COMPANY LIMITED (JP) 1996-08-07 EP disclosed
US-5536714-A Steroid derivatives for the treatment of prostatic hypertrophy their preparation and uses SANKYO COMPANY, LIMITED (JP) 1996-07-16 US disclosed
EP-0567271-A2 Steroid derivatives for the treatment of prostatic hypertrophy, their preparation and uses SANKYO COMPANY LIMITED (JP) 1993-10-27 EP disclosed