SCHEMBL8074883

SCHEMBL8074883

C=CCOCCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 9/20 0.73
SRD5A2 P31213 6/20 0.73

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
SCHEMBL8073367 0.90 SRD5A1 (0.66) SRD5A1SRD5A2
SCHEMBL8073371 0.90 SRD5A1 (0.66) SRD5A1SRD5A2
SCHEMBL8075416 0.87 SRD5A1 (0.72) SRD5A1SRD5A2
SCHEMBL8073527 0.83 SRD5A1 (0.79) SRD5A1SRD5A2
SCHEMBL8078766 0.83 SRD5A1 (0.77) SRD5A1SRD5A2
SCHEMBL8078764 0.83 SRD5A1 (0.77) SRD5A1SRD5A2
SCHEMBL8080027 0.82 SRD5A1 (0.73) SRD5A1SRD5A2
SCHEMBL8080030 0.82 SRD5A1 (0.73) SRD5A1SRD5A2
SCHEMBL8078403 0.81 SRD5A1 (0.75) SRD5A1SRD5A2
SCHEMBL8078401 0.81 SRD5A1 (0.75) SRD5A1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641204-B1 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS MERCK & CO INC (US) 2000-08-16 EP claimed
US-5536727-A TREATMENT OF HYPERANDROGENIC DISEASES MERCK & CO., INC. (US) 1996-07-16 US claimed
EP-0641204-A4 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS. MERCK & CO INC (US) 1995-08-23 EP claimed
EP-0641204-A1 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS MERCK & CO. INC. (US) 1995-03-08 EP claimed
WO-1993023040-A1 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS MERCK & CO., INC. (US) 1993-11-25 WO claimed
EP-0641204-B1 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS MERCK & CO INC (US) 2000-08-16 EP disclosed
EP-0641204-A4 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS. MERCK & CO INC (US) 1995-08-23 EP disclosed
EP-0641204-A1 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS MERCK & CO. INC. (US) 1995-03-08 EP disclosed
WO-1993023040-A1 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS MERCK & CO., INC. (US) 1993-11-25 WO disclosed