SCHEMBL9022339

SCHEMBL9022339

COc1ccc(C(NC(=O)C2CC[C@H]3[C@@H]4CCC5NC(=O)C=C[C@]5(C)[C@@H]4CC[C@]23C)c2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 19/20 0.73
SRD5A2 P31213 6/20 0.67
ABCC4 O15439 1/20 0.61
ABCB11 O95342 1/20 0.61
LMNA P02545 1/20 0.61
CYP3A4 P08684 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
CHRM1 P11229 1/20 0.61
CYP2C9 P11712 1/20 0.61
HSD3B1 P14060 1/20 0.61
NFKB1 P19838 1/20 0.61
MAPK1 P28482 1/20 0.61
CYP2C19 P33261 1/20 0.61
THPO P40225 1/20 0.61
BLM P54132 1/20 0.61

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
SCHEMBL9022335 1.00 SRD5A1 (0.73) SRD5A1SRD5A2ABCC4ABCB11LMNA
SCHEMBL9021989 0.97 SRD5A1 (0.77) SRD5A1SRD5A2ABCC4ABCB11LMNA
SCHEMBL9021996 0.97 SRD5A1 (0.77) SRD5A1SRD5A2ABCC4ABCB11LMNA
SCHEMBL9022092 0.94 SRD5A1 (0.76) SRD5A1SRD5A2ABCC4ABCB11LMNA
SCHEMBL9022095 0.94 SRD5A1 (0.76) SRD5A1SRD5A2ABCC4ABCB11LMNA
SCHEMBL9022684 0.91 SRD5A1 (0.72) SRD5A1SRD5A2ABCC4ABCB11LMNA
SCHEMBL9022689 0.91 SRD5A1 (0.72) SRD5A1SRD5A2ABCC4ABCB11LMNA
SCHEMBL9022078 0.91 SRD5A1 (0.72) SRD5A1SRD5A2ABCC4ABCB11LMNA
SCHEMBL9022071 0.91 SRD5A1 (0.72) SRD5A1SRD5A2ABCC4ABCB11LMNA
SCHEMBL9021908 0.89 SRD5A1 (0.68) 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 3 patents. 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 disclosed
US-5302621-A Azasteroid compounds for the treatment of prostatic hypertrophy, their preparation and use SANKYO COMPANY, LIMITED (JP) 1994-04-12 US disclosed
EP-0484094-A2 Azasteroid compounds for the treatment of prostatic hypertrophy, their preparation and use Sankyo Company Limited (JP) 1992-05-06 EP disclosed