SCHEMBL9022937

SCHEMBL9022937

CN1C(=O)CC[C@@]2(C)C1=CC[C@H]1[C@@H]3CC[C@H](OC(=O)NC(c4ccccc4)c4ccc(O)cc4)[C@@]3(C)CC[C@@H]12

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 8/20 0.49
SRD5A1 P18405 5/20 0.49
CYP2C19 P33261 2/20 0.38
CYP19A1 P11511 1/20 0.36
NR1I2 O75469 1/20 0.36
LMNA P02545 1/20 0.36
NR3C1 P04150 1/20 0.36
CYP17A1 P05093 1/20 0.36
PGR P06401 1/20 0.36
CYP3A4 P08684 1/20 0.36
AR P10275 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
OPRK1 P41145 1/20 0.36

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
SCHEMBL9022734 0.96 SRD5A2 (0.53) SRD5A2SRD5A1CYP2C19CYP19A1NR1I2
SCHEMBL9022100 0.87 SRD5A1 (0.48) SRD5A2SRD5A1CYP2C19CYP19A1NR1I2
SCHEMBL9022607 0.87 SRD5A2 (0.64) SRD5A2SRD5A1
SCHEMBL9022615 0.87 SRD5A2 (0.64) SRD5A2SRD5A1
SCHEMBL9022611 0.86 SRD5A1 (0.48) SRD5A2SRD5A1CYP2C19CYP19A1NR1I2
SCHEMBL9022428 0.85 SRD5A2 (0.48) SRD5A2SRD5A1CYP2C19CYP19A1NR1I2
SCHEMBL9022566 0.83 SRD5A1 (0.46) SRD5A2SRD5A1CYP2C19CYP19A1NR1I2
SCHEMBL9022293 0.82 SRD5A2 (0.68) SRD5A2SRD5A1
SCHEMBL9022292 0.82 SRD5A2 (0.68) SRD5A2SRD5A1
SCHEMBL9022693 0.81 SRD5A1 (0.52) SRD5A2SRD5A1

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