SCHEMBL9129103

SCHEMBL9129103

CC(NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 5/20 0.68
SRD5A1 P18405 5/20 0.68
AR P10275 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
SCHEMBL9127875 1.00 SRD5A2 (0.68) SRD5A2SRD5A1AR
SCHEMBL8777103 0.92 SRD5A2 (0.68) SRD5A2SRD5A1AR
SCHEMBL8777094 0.92 SRD5A2 (0.68) SRD5A2SRD5A1AR
SCHEMBL8777099 0.92 SRD5A2 (0.68) SRD5A2SRD5A1AR
SCHEMBL8777118 0.88 SRD5A2 (0.63) SRD5A2SRD5A1AR
SCHEMBL8777190 0.88 SRD5A2 (0.63) SRD5A2SRD5A1AR
SCHEMBL9128835 0.87 SRD5A2 (0.61) SRD5A2SRD5A1AR
SCHEMBL8795532 0.87 SRD5A2 (0.61) SRD5A2SRD5A1AR
SCHEMBL8795528 0.87 SRD5A2 (0.61) SRD5A2SRD5A1AR
SCHEMBL9127686 0.85 SRD5A2 (0.59) SRD5A2SRD5A1AR

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
US-5418238-A 17β-substituted 4-aza-5α-androstan-3-one derivatives FARMITALIA CARLO ERBA S.R.L. (IT) 1995-05-23 US disclosed