SCHEMBL9022728

SCHEMBL9022728

CC(C)(NC(=O)O[C@H]1CC[C@H]2[C@@H]3CC=C4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 4/20 0.44
SRD5A2 P31213 7/20 0.37
CYP3A4 P08684 2/20 0.37
CYP17A1 P05093 2/20 0.37
NR1I2 O75469 1/20 0.37
LMNA P02545 1/20 0.37
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
AR P10275 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
OPRK1 P41145 1/20 0.37
MAPT P10636 1/20 0.37
CYP19A1 P11511 4/20 0.36
PTPN1 P18031 1/20 0.35

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
SCHEMBL9022893 0.87 SRD5A1 (0.46) SRD5A1SRD5A2CYP3A4CYP17A1NR1I2
SCHEMBL9022274 0.86 SRD5A2 (0.49) SRD5A1SRD5A2
SCHEMBL9022269 0.86 SRD5A2 (0.49) SRD5A1SRD5A2
SCHEMBL9022561 0.85 SRD5A1 (0.47) SRD5A1SRD5A2CYP3A4CYP17A1NR1I2
SCHEMBL9023102 0.84 SRD5A1 (0.46) SRD5A1SRD5A2CYP3A4CYP17A1NR1I2
SCHEMBL9022720 0.83 SRD5A1 (0.44) SRD5A1SRD5A2CYP3A4CYP17A1NR1I2
SCHEMBL9022327 0.83 SRD5A1 (0.43) SRD5A1SRD5A2CYP3A4CYP17A1NR1I2
SCHEMBL9022673 0.82 SRD5A2 (0.50) SRD5A1SRD5A2CYP3A4LMNAAR
SCHEMBL7611412 0.78 SRD5A1 (0.56) SRD5A1CYP3A4CYP17A1NR1I2LMNA
SCHEMBL4416885 0.78 SRD5A1 (0.56) SRD5A1SRD5A2CYP3A4CYP17A1NR1I2

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