SCHEMBL8651900

SCHEMBL8651900

CC1C[C@H](O)[C@@]2(C)CC[C@H]3[C@@H]([C@@H](C)C[C@H]4N(C)C(=O)CC[C@]34C)[C@H]12

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 4/20 0.54
SRD5A2 P31213 4/20 0.54
SHBG P04278 1/20 0.44

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
SCHEMBL8651905 1.00 SRD5A1 (0.54) SRD5A1SRD5A2SHBG
SCHEMBL9486929 0.86 SRD5A1 (0.64) SRD5A1SRD5A2SHBG
SCHEMBL7909909 0.86 SRD5A1 (0.64) SRD5A1SRD5A2SHBG
SCHEMBL7909915 0.86 SRD5A1 (0.64) SRD5A1SRD5A2SHBG
SCHEMBL8651878 0.84 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL8650014 0.84 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL8650013 0.84 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL8651218 0.80 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL8651221 0.80 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL8722381 0.79 SRD5A1 (0.61) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0700291-B1 15-SUBSTITUTED 4-AZASTEROIDS MERCK & CO INC (US) 1998-09-16 EP claimed
EP-0700291-B1 15-SUBSTITUTED 4-AZASTEROIDS MERCK & CO INC (US) 1998-09-16 EP disclosed
EP-0700291-A4 15-SUBSTITUTED 4-AZASTEROIDS MERCK & CO INC (US) 1996-07-03 EP disclosed
EP-0700291-A1 15-SUBSTITUTED 4-AZASTEROIDS MERCK & CO. INC. (US) 1996-03-13 EP disclosed
US-5359071-A Selective antagonist of testosterone 5-alpha-reductase 1 MERCK & CO., INC. (US) 1994-10-25 US disclosed
WO-1994020104-A1 15-SUBSTITUTED 4-AZASTEROIDS MERCK & CO, INC. (US) 1994-09-15 WO disclosed