SCHEMBL8927175

SCHEMBL8927175

Cc1ccc(NC(=O)CO[C@H]2C(C)CC3C4CC[C@H]5NC(=O)CC[C@]5(C)C4CC[C@@]32C)cc1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 5/20 0.52
SRD5A1 P18405 4/20 0.52
AR P10275 1/20 0.52

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
SCHEMBL8073261 0.87 SRD5A2 (0.58) SRD5A2SRD5A1AR
SCHEMBL8075334 0.79 SRD5A1 (0.69) SRD5A2SRD5A1AR
SCHEMBL8074985 0.79 SRD5A2 (0.56) SRD5A2SRD5A1AR
SCHEMBL8078963 0.78 SRD5A2 (0.56) SRD5A2SRD5A1AR
SCHEMBL8078479 0.78 SRD5A2 (0.55) SRD5A2SRD5A1AR
SCHEMBL8075649 0.78 SRD5A2 (0.55) SRD5A2SRD5A1AR
SCHEMBL8926800 0.75 SRD5A1 (0.50) SRD5A2SRD5A1
SCHEMBL8071692 0.73 SRD5A2 (0.57) SRD5A2SRD5A1AR
SCHEMBL8530143 0.72 SRD5A1 (0.47) SRD5A2SRD5A1AR
SCHEMBL8926809 0.71 SRD5A1 (0.37) 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-5693809-A PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER MERCK & CO., INC. (US) 1997-12-02 US disclosed