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Sugi Predict / Compounds / SCHEMBL13656758

SCHEMBL13656758

SCHEMBL13656758

CN1C(=O)CC[C@]2(C)C3CC[C@]4(C)[C@@H](O)CC[C@H]4C3CC[C@@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 3/20 0.64
▸ SRD5A2 P31213 2/20 0.64

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
SCHEMBL4265525 1.00 SRD5A1 (0.64) SRD5A1SRD5A2
SCHEMBL7751282 1.00 SRD5A1 (0.64) SRD5A1SRD5A2
SCHEMBL4265528 1.00 SRD5A1 (0.64) SRD5A1SRD5A2
SCHEMBL14046283 0.85 SRD5A1 (0.65) SRD5A1SRD5A2
SCHEMBL8073983 0.84 SRD5A1 (0.67) SRD5A1SRD5A2
SCHEMBL8071826 0.84 SRD5A1 (0.67) SRD5A1SRD5A2
SCHEMBL8939853 0.84 SRD5A1 (0.55) SRD5A1SRD5A2
SCHEMBL13604091 0.84 SRD5A1 (0.72) SRD5A1SRD5A2
SCHEMBL4187752 0.84 SRD5A1 (0.72) SRD5A1SRD5A2
SCHEMBL9571051 0.84 SRD5A1 (0.72) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605152-B2 17-hydroxy-4-aza-androstan-3-ones as androgen receptor modulators MERCK & CO., INC. (US) 2009-10-20 — — US disclosed
US-7605152-B2 17-hydroxy-4-aza-androstan-3-ones as androgen receptor modulators MERCK & CO., INC. (US) 2009-10-20 — — US disclosed