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Sugi Predict / Compounds / SCHEMBL9708873

SCHEMBL9708873

SCHEMBL9708873

C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(C(=O)c3ccc(-c4ccccc4)cc3)CC[C@@H]12

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 14/20 0.76
▸ SRD5A2 P31213 8/20 0.76

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
SCHEMBL8148955 1.00 SRD5A1 (0.76) SRD5A1SRD5A2
SCHEMBL8148950 1.00 SRD5A1 (0.76) SRD5A1SRD5A2
SCHEMBL8162550 0.94 SRD5A1 (0.75) SRD5A1SRD5A2
SCHEMBL8162545 0.94 SRD5A1 (0.75) SRD5A1SRD5A2
SCHEMBL8163721 0.92 SRD5A1 (0.75) SRD5A1SRD5A2
SCHEMBL8163723 0.92 SRD5A1 (0.75) SRD5A1SRD5A2
SCHEMBL8159695 0.92 SRD5A2 (0.68) SRD5A1SRD5A2
SCHEMBL8159693 0.92 SRD5A2 (0.68) SRD5A1SRD5A2
SCHEMBL8156577 0.90 SRD5A1 (0.75) SRD5A1SRD5A2
SCHEMBL8158172 0.90 SRD5A1 (0.75) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992016233-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC CANCER CONTAINING A 5 ALPHA REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO., INC. (US) 1992-10-01 — — WO disclosed