SCHEMBL9708876

SCHEMBL9708876

C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3NC(=O)C(C(=O)c4ccc(-c5ccccc5)cc4)=C[C@]3(C)[C@H]1CC2

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 13/20 0.42
SRD5A2 P31213 8/20 0.42
MBOAT4 Q96T53 3/20 0.40

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
SCHEMBL9618180 0.94 SRD5A1 (0.44) SRD5A1SRD5A2MBOAT4
SCHEMBL8677535 0.86 MBOAT4 (0.40) SRD5A1SRD5A2MBOAT4
SCHEMBL9543229 0.84 MBOAT4 (0.41) SRD5A1SRD5A2MBOAT4
SCHEMBL9776615 0.83 SRD5A1 (0.41) SRD5A1SRD5A2MBOAT4
SCHEMBL7643438 0.81 MBOAT4 (0.47) SRD5A1SRD5A2MBOAT4
SCHEMBL10698417 0.79 MBOAT4 (0.45) SRD5A1SRD5A2MBOAT4
SCHEMBL9580259 0.77 SRD5A1 (0.45) SRD5A1SRD5A2MBOAT4
SCHEMBL5109022 0.75 MBOAT4 (0.51) SRD5A1SRD5A2MBOAT4
SCHEMBL5580932 0.75 MBOAT4 (0.41) SRD5A1SRD5A2MBOAT4
SCHEMBL9134492 0.74 MBOAT4 (0.40) SRD5A1SRD5A2MBOAT4

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