SCHEMBL9022100

SCHEMBL9022100

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

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 4/20 0.48
SRD5A2 P31213 8/20 0.43
CYP2C19 P33261 2/20 0.39
CYP19A1 P11511 1/20 0.37
CYP3A4 P08684 2/20 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
AR P10275 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
OPRK1 P41145 1/20 0.36
MAPT P10636 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 0.91 SRD5A2 (0.53) SRD5A1SRD5A2CYP2C19CYP19A1CYP3A4
SCHEMBL9022937 0.87 SRD5A2 (0.49) SRD5A1SRD5A2CYP2C19CYP19A1CYP3A4
SCHEMBL9022201 0.87 SRD5A2 (0.56) SRD5A1SRD5A2
SCHEMBL9022192 0.87 SRD5A2 (0.56) SRD5A1SRD5A2
SCHEMBL9022611 0.86 SRD5A1 (0.48) SRD5A1SRD5A2CYP2C19CYP19A1CYP3A4
SCHEMBL9022566 0.84 SRD5A1 (0.46) SRD5A1SRD5A2CYP2C19CYP19A1CYP3A4
SCHEMBL9022149 0.82 SRD5A1 (0.50) SRD5A1SRD5A2CYP2C19CYP19A1CYP3A4
SCHEMBL9022624 0.82 SRD5A1 (0.50) SRD5A1SRD5A2CYP2C19CYP19A1CYP3A4
SCHEMBL7619286 0.80 SRD5A1 (0.61) SRD5A1CYP2C19CYP19A1CYP3A4NR1I2
SCHEMBL7619280 0.80 SRD5A1 (0.61) SRD5A1CYP2C19CYP19A1CYP3A4NR1I2

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