SCHEMBL5072833

SCHEMBL5072833

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

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 3/20 0.51
SRD5A2 P31213 3/20 0.51

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
SCHEMBL5072836 1.00 SRD5A1 (0.51) SRD5A1SRD5A2
SCHEMBL5070908 0.85 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL5070909 0.85 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL5069369 0.82 SRD5A1 (0.43) SRD5A1SRD5A2
SCHEMBL5069375 0.82 SRD5A1 (0.43) SRD5A1SRD5A2
SCHEMBL7909915 0.81 SRD5A1 (0.64) SRD5A1SRD5A2
SCHEMBL7909909 0.81 SRD5A1 (0.64) SRD5A1SRD5A2
SCHEMBL9486929 0.81 SRD5A1 (0.64) SRD5A1SRD5A2
SCHEMBL14046283 0.80 SRD5A1 (0.65) SRD5A1SRD5A2
SCHEMBL8931508 0.78 SRD5A1 (0.81) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1467739-A4 17-HYDROXY-4-AZA-ANDROSTAN-3-ONES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2008-01-09 EP claimed
EP-1467739-A2 17-HYDROXY-4-AZA-ANDROSTAN-3-ONES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-10-20 EP claimed
WO-2003059293-A2 17-HYDROXY-4-AZA-ANDROSTAN-3-ONES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-07-24 WO claimed