SCHEMBL8528571

SCHEMBL8528571

C[C@]12CC[C@H]3[C@@H](CNC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)C1CC2CCC1C2

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 20/20 0.68
HSD3B1 P14060 1/20 0.68
SRD5A1 P18405 1/20 0.68

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
SCHEMBL8612361 0.85 SRD5A2 (0.69) SRD5A2HSD3B1SRD5A1
SCHEMBL8612135 0.84 SRD5A2 (0.68) SRD5A2HSD3B1SRD5A1
SCHEMBL12606608 0.82 SRD5A2 (0.80) SRD5A2
SCHEMBL9159638 0.82 SRD5A2 (0.80) SRD5A2
SCHEMBL12651156 0.82 SRD5A2 (0.80) SRD5A2
SCHEMBL19544537 0.82 SRD5A2 (0.80) SRD5A2HSD3B1SRD5A1
SCHEMBL19544512 0.81 SRD5A2 (0.79) SRD5A2HSD3B1SRD5A1
SCHEMBL8611352 0.81 SRD5A2 (1.00) SRD5A2HSD3B1SRD5A1
SCHEMBL8616254 0.81 SRD5A2 (1.00) SRD5A2HSD3B1SRD5A1
SCHEMBL8616250 0.81 SRD5A2 (1.00) SRD5A2HSD3B1SRD5A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0674651-B1 SUBSTITUTED 6-AZAANDROSTENONES GLAXO WELLCOME INC (US) 1998-10-28 EP claimed
US-5708001-A TESTOSTERONE-5A-REDUCTASE INHIBITORS GLAXO WELLCOME INC. (US) 1998-01-13 US claimed
EP-0674651-A1 SUBSTITUTED 6-AZAANDROSTENONES GLAXO WELLCOME INC. (US) 1995-10-04 EP claimed
WO-1994014833-A2 SUBSTITUTED 6-AZAANDROSTENONES GLAXO WELLCOME INC. (US) 1994-07-07 WO claimed
EP-0674651-B1 SUBSTITUTED 6-AZAANDROSTENONES GLAXO WELLCOME INC (US) 1998-10-28 EP disclosed
US-5708001-A TESTOSTERONE-5A-REDUCTASE INHIBITORS GLAXO WELLCOME INC. (US) 1998-01-13 US disclosed
WO-1994014833-A2 SUBSTITUTED 6-AZAANDROSTENONES GLAXO WELLCOME INC. (US) 1994-07-07 WO disclosed