SCHEMBL8478274

SCHEMBL8478274

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

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 5/20 0.55
SRD5A1 P18405 2/20 0.55
AR P10275 1/20 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
SCHEMBL8478279 1.00 SRD5A2 (0.55) SRD5A2SRD5A1AR
SCHEMBL8016958 0.88 SRD5A2 (0.58) SRD5A2SRD5A1AR
SCHEMBL7386216 0.88 SRD5A2 (0.58) SRD5A2SRD5A1AR
SCHEMBL7380929 0.88 SRD5A2 (0.58) SRD5A2SRD5A1AR
SCHEMBL8016669 0.88 SRD5A2 (0.58) SRD5A2SRD5A1AR
SCHEMBL8016963 0.88 SRD5A2 (0.58) SRD5A2SRD5A1AR
SCHEMBL8016811 0.86 SRD5A2 (0.49) SRD5A2SRD5A1AR
SCHEMBL8017034 0.85 SRD5A2 (0.47) SRD5A2SRD5A1AR
SCHEMBL8016230 0.85 SRD5A2 (0.47) SRD5A2SRD5A1AR
SCHEMBL8018780 0.85 SRD5A2 (0.47) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5998427-A REDUCTASE INHIBITOR GLAXO WELLCOME INC. (US) 1999-12-07 US disclosed
US-5977126-A ANTIANGROGENS, ENZYME INHBITORS GLAXO WELLCOME INC. (US) 1999-11-02 US disclosed
US-5817818-A THERAPY OF ANDROGEN RESPONSIVE DISEASES GLAXO WELLCOME INC. (US) 1998-10-06 US disclosed
EP-0719277-B1 ANDROSTENONES GLAXO WELLCOME INC (US) 1997-12-17 EP disclosed
EP-0719277-A1 ANDROSTENONES GLAXO WELLCOME INC. (US) 1996-07-03 EP disclosed
WO-1995007926-A1 ANDROSTENONES GLAXO WELLCOME INC. (US) 1995-03-23 WO disclosed