SCHEMBL4557413

SCHEMBL4557413

C=CCOC1C(C)[C@@H]2[C@@H](CC[C@]3(C)CCC[C@@H]23)[C@@]2(C)CCC(=O)N(C)C12

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.32
SRD5A2 P31213 2/20 0.32
ATP1A1 P05023 2/20 0.31
ATP1B1 P05026 2/20 0.31
ATP1A3 P13637 2/20 0.31
ATP1B2 P14415 2/20 0.31
ATP1A2 P50993 2/20 0.31
ATP1B3 P54709 2/20 0.31
FXYD2 P54710 2/20 0.31
ATP1A4 Q13733 2/20 0.31

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
SCHEMBL8996745 0.89 SRD5A1 (0.34) SRD5A1SRD5A2
SCHEMBL8996742 0.89 SRD5A1 (0.34) SRD5A1SRD5A2
SCHEMBL8523198 0.86 SRD5A1 (0.34) SRD5A1SRD5A2
SCHEMBL8579148 0.84 SRD5A1 (0.41) SRD5A1SRD5A2
SCHEMBL8996758 0.82 SRD5A1 (0.36) SRD5A1SRD5A2ATP1A1ATP1B1ATP1A3
SCHEMBL8996766 0.82 SRD5A1 (0.36) SRD5A1SRD5A2ATP1A1ATP1B1ATP1A3
SCHEMBL8524687 0.82 SRD5A1 (0.34) SRD5A1SRD5A2
SCHEMBL8524586 0.80 CDK5 (0.35) SRD5A1SRD5A2ATP1A1ATP1B1ATP1A3
SCHEMBL8524175 0.79 SRD5A1 (0.36) SRD5A1SRD5A2
SCHEMBL8996714 0.78 SRD5A1 (0.34) 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-1865955-A4 METHOD OF TREATING MEN WITH TESTOSTERONE SUPPLEMENT AND 5ALPHA-REDUCTASE INHIBITOR MERCK & CO INC (US) 2009-04-15 EP disclosed
EP-1865955-A2 METHOD OF TREATING MEN WITH TESTOSTERONE SUPPLEMENT AND 5ALPHA-REDUCTASE INHIBITOR Merck & Co., Inc. (US) 2007-12-19 EP disclosed
WO-2006104762-A2 METHOD OF TREATING MEN WITH TESTOSTERONE SUPPLEMENT AND 5ALPHA-REDUCTASE INHIBITOR MERCK & CO., INC. (US) 2006-10-05 WO disclosed