SCHEMBL8926904

SCHEMBL8926904

CC1C[C@H]2[C@@H]3CCC4NC(=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1C(=O)NC1C2CC3CC(C2)CC1C3

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.49
SRD5A1 P18405 2/20 0.49
AR P10275 1/20 0.49

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
SCHEMBL8926901 1.00 SRD5A2 (0.49) SRD5A2SRD5A1AR
SCHEMBL8162725 0.86 SRD5A2 (0.63) SRD5A2SRD5A1AR
SCHEMBL8162729 0.86 SRD5A2 (0.63) SRD5A2SRD5A1AR
SCHEMBL8926862 0.84 SRD5A2 (0.49) SRD5A2SRD5A1AR
SCHEMBL8926871 0.84 SRD5A2 (0.49) SRD5A2SRD5A1AR
SCHEMBL9546869 0.82 SRD5A2 (0.56) SRD5A2SRD5A1AR
SCHEMBL8925117 0.82 SRD5A2 (0.47) SRD5A2SRD5A1AR
SCHEMBL8925111 0.82 SRD5A2 (0.47) SRD5A2SRD5A1AR
SCHEMBL8926911 0.81 SRD5A1 (0.53) SRD5A2SRD5A1
SCHEMBL8926921 0.81 SRD5A1 (0.53) SRD5A2SRD5A1

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