SCHEMBL5070240

SCHEMBL5070240

CCC1CC2N(C)C(=O)CC[C@]2(C)[C@@H]2CC[C@]3(C)C(O)CC[C@H]3[C@H]12

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 14/20 0.67
SRD5A2 P31213 6/20 0.67
HSD17B7 P56937 2/20 0.48

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
SCHEMBL5070238 1.00 SRD5A1 (0.67) SRD5A1SRD5A2HSD17B7
SCHEMBL7909915 0.85 SRD5A1 (0.64) SRD5A1SRD5A2
SCHEMBL9486929 0.85 SRD5A1 (0.64) SRD5A1SRD5A2
SCHEMBL7909909 0.85 SRD5A1 (0.64) SRD5A1SRD5A2
SCHEMBL8336441 0.81 SRD5A1 (1.00) SRD5A1SRD5A2
SCHEMBL917441 0.81 SRD5A1 (1.00) SRD5A1SRD5A2
SCHEMBL917440 0.81 SRD5A1 (1.00) SRD5A1SRD5A2
SCHEMBL5070908 0.80 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL5070909 0.80 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL4265525 0.78 SRD5A1 (0.64) 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