SCHEMBL8996738

SCHEMBL8996738

CCCCON1C(=O)CC[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)CCC[C@@H]12

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 10/20 0.46
HSD17B7 P56937 2/20 0.45
SRD5A2 P31213 2/20 0.43

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
SCHEMBL8682897 0.89 SRD5A1 (0.42) SRD5A1HSD17B7SRD5A2
SCHEMBL8679325 0.82 SRD5A1 (0.34) SRD5A1HSD17B7SRD5A2
SCHEMBL7802581 0.77 SRD5A1 (0.58) SRD5A1SRD5A2
SCHEMBL7527164 0.77 SRD5A1 (0.58) SRD5A1SRD5A2
SCHEMBL8679334 0.76 SRD5A1 (0.33) SRD5A1HSD17B7SRD5A2
SCHEMBL9318018 0.74 CYP19A1 (0.44) SRD5A1SRD5A2
SCHEMBL8585461 0.73 SRD5A1 (0.44) SRD5A1SRD5A2
SCHEMBL8679098 0.72 SRD5A1 (0.39) SRD5A1HSD17B7SRD5A2
SCHEMBL8682901 0.71 SRD5A1 (0.35) SRD5A1SRD5A2
SCHEMBL8606544 0.69 SRD5A1 (0.35) SRD5A1SRD5A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0724592-A1 16-SUBSTITUTED-4-AZA-ANDROSTANE 5-ALPHA-REDUCTASE ISOZYME 1 INHIBITORS MERCK & CO. INC. (US) 1996-08-07 EP claimed
WO-1995011254-A1 16-SUBSTITUTED-4-AZA-ANDROSTANE 5-ALPHA-REDUCTASE ISOZYME 1 INHIBITORS MERCK & CO., INC. (US) 1995-04-27 WO claimed