SCHEMBL8927216

SCHEMBL8927216

CC(=O)NC1C(C(C)C)C[C@H]2[C@@H]3CCN4C(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
G6PD P11413 3/20 0.31

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
SCHEMBL8926419 0.87 ACHE (0.41) SRD5A2BCHEACHE
SCHEMBL8926937 0.85 SRD5A2 (0.38) SRD5A2G6PD
SCHEMBL8925996 0.85 ALDH1A1 (0.37) SRD5A2BCHEACHE
SCHEMBL8925513 0.84 SRD5A2 (0.36) SRD5A2ACHEG6PD
SCHEMBL8927056 0.81 SRD5A2 (0.33) SRD5A2
SCHEMBL8926813 0.79 SRD5A2 (0.34) SRD5A2BCHEACHE
SCHEMBL8927275 0.77 AR (0.37) SRD5A2
SCHEMBL8927180 0.76 AR (0.36) SRD5A2
SCHEMBL8926912 0.76 SRD5A2 (0.34) SRD5A2
SCHEMBL8927211 0.75

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