SCHEMBL8023773

SCHEMBL8023773

CN1C(=O)CC[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(c3ccccc3C(C)(C)C)CC[C@@H]12

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 5/20 0.54
SRD5A2 P31213 3/20 0.54

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
SCHEMBL8007081 0.86 SRD5A1 (0.55) SRD5A1SRD5A2
SCHEMBL8018790 0.84 SRD5A1 (0.55) SRD5A1SRD5A2
SCHEMBL8019110 0.82 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL8020712 0.79 SRD5A2 (0.55) SRD5A1SRD5A2
SCHEMBL8019104 0.79 SRD5A2 (0.55) SRD5A1SRD5A2
SCHEMBL8024006 0.77 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL8007060 0.76 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL8023658 0.76 SRD5A1 (0.51) SRD5A1SRD5A2
SCHEMBL8083978 0.76 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL8018770 0.76 SRD5A1 (0.62) 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
EP-0664812-B1 17-BETA-ARYL ESTER CARBOXYLATES OF 4-AZA-5-ALPHA-ANDROSTANE-3-ONES MERCK & CO INC (US) 2000-01-05 EP claimed