SCHEMBL9022673

SCHEMBL9022673

CC(C)(NC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)c1cccs1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 5/20 0.50
SRD5A1 P18405 4/20 0.50
AR P10275 1/20 0.50
ABCC4 O15439 1/20 0.39
ABCB11 O95342 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
CYP2C9 P11712 1/20 0.39
HSD3B1 P14060 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
THPO P40225 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL9022557 0.86 SRD5A2 (0.57) SRD5A2SRD5A1AR
SCHEMBL9022084 0.86 SRD5A2 (0.64) SRD5A2SRD5A1ARABCC4ABCB11
SCHEMBL9022088 0.86 SRD5A2 (0.64) SRD5A2SRD5A1ARABCC4ABCB11
SCHEMBL9021886 0.85 SRD5A1 (0.57) SRD5A2SRD5A1ABCC4ABCB11LMNA
SCHEMBL9023070 0.84 SRD5A2 (0.50) SRD5A2SRD5A1ARABCC4ABCB11
SCHEMBL9022608 0.83 SRD5A2 (0.57) SRD5A2SRD5A1AR
SCHEMBL9022588 0.83 SRD5A2 (0.49) SRD5A2SRD5A1
SCHEMBL9022623 0.83 SRD5A2 (0.49) SRD5A2SRD5A1AR
SCHEMBL9022728 0.82 SRD5A1 (0.44) SRD5A2SRD5A1ARLMNACYP3A4
SCHEMBL9023065 0.78 AR (0.53) SRD5A2AR

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
EP-0484094-B1 Azasteroid compounds for the treatment of prostatic hypertrophy, their preparation and use SANKYO CO (JP) 1996-06-26 EP claimed