SCHEMBL5069374

SCHEMBL5069374

C[C@]12CC[C@H]3[C@@H](CC[C@H]4N(CF)C(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.53
AR P10275 2/20 0.53
NR3C1 P04150 1/20 0.53
SHBG P04278 1/20 0.53
PGR P06401 1/20 0.53
SERPINA6 P08185 1/20 0.53
NR3C2 P08235 1/20 0.53
CYP3A4 P08684 1/20 0.53
GPBAR1 Q8TDU6 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MGAM O43451 1/20 0.53
KMT2A Q03164 1/20 0.50
SRD5A1 P18405 2/20 0.48
SRD5A2 P31213 1/20 0.48

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
SCHEMBL8939853 0.87 SRD5A1 (0.55) KMT2ASRD5A1SRD5A2
SCHEMBL9275243 0.86 SRD5A1 (0.57) SRD5A1SRD5A2
SCHEMBL4265528 0.83 SRD5A1 (0.64) SRD5A1SRD5A2
SCHEMBL13656758 0.83 SRD5A1 (0.64) SRD5A1SRD5A2
SCHEMBL7751282 0.83 SRD5A1 (0.64) SRD5A1SRD5A2
SCHEMBL4265525 0.83 SRD5A1 (0.64) SRD5A1SRD5A2
SCHEMBL9022350 0.76 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL9022344 0.76 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL3652868 0.72 CYP19A1 (0.60) CYP19A1ARNR3C1SHBGPGR
SCHEMBL3652870 0.72 CYP19A1 (0.60) CYP19A1ARNR3C1SHBGPGR

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-1467739-A4 17-HYDROXY-4-AZA-ANDROSTAN-3-ONES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2008-01-09 EP claimed
EP-1467739-A2 17-HYDROXY-4-AZA-ANDROSTAN-3-ONES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-10-20 EP claimed
WO-2003059293-A2 17-HYDROXY-4-AZA-ANDROSTAN-3-ONES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-07-24 WO claimed