SCHEMBL8925992

SCHEMBL8925992

CC(=O)O[C@H]1[C@@H](C(C)C)C[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 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
SCHEMBL8927054 0.90
SCHEMBL8926914 0.87 SRD5A1 (0.53) SRD5A1
SCHEMBL8926919 0.87 SRD5A1 (0.53) SRD5A1
SCHEMBL8926929 0.84 SRD5A1 (0.58) SRD5A1
SCHEMBL8927211 0.84
SCHEMBL7612135 0.80 SRD5A1 (0.60) SRD5A1
SCHEMBL7612140 0.80 SRD5A1 (0.60) SRD5A1
SCHEMBL8926336 0.78
SCHEMBL8926340 0.78
SCHEMBL9546873 0.78

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