SCHEMBL8075643

SCHEMBL8075643

C[C@]12CCC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OCC(=O)NCCO)CC[C@@H]12

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.52
SRD5A1 P18405 3/20 0.50
AR P10275 1/20 0.50

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
SCHEMBL8075653 1.00 SRD5A2 (0.52) SRD5A2SRD5A1AR
SCHEMBL8065221 0.88 SRD5A2 (0.56) SRD5A2SRD5A1AR
SCHEMBL8065226 0.88 SRD5A2 (0.56) SRD5A2SRD5A1AR
SCHEMBL8075013 0.85 SRD5A2 (0.58) SRD5A2SRD5A1AR
SCHEMBL9003286 0.85 SRD5A2 (0.58) SRD5A2SRD5A1AR
SCHEMBL8075573 0.85 SRD5A2 (0.58) SRD5A2SRD5A1AR
SCHEMBL8075575 0.85 SRD5A2 (0.58) SRD5A2SRD5A1AR
SCHEMBL8075334 0.82 SRD5A1 (0.69) SRD5A2SRD5A1AR
SCHEMBL8065403 0.82 SRD5A2 (0.49) SRD5A2SRD5A1AR
SCHEMBL8065404 0.82 SRD5A2 (0.49) SRD5A2SRD5A1AR

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 8 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
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
US-5536727-A TREATMENT OF HYPERANDROGENIC DISEASES MERCK & CO., INC. (US) 1996-07-16 US 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