SCHEMBL9065982

SCHEMBL9065982

CCCC1CC(=O)N(C)C2CC[C@@H]3[C@@H](CC[C@]4(C)C(O)CC[C@@H]34)[C@@]12C

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SHBG P04278 3/20 0.51
AR P10275 2/20 0.51
KMT2A Q03164 1/20 0.48
SRD5A1 P18405 7/20 0.47
SRD5A2 P31213 2/20 0.46
CYP19A1 P11511 2/20 0.46
NR3C1 P04150 1/20 0.46
PGR P06401 1/20 0.46
SERPINA6 P08185 1/20 0.46
NR3C2 P08235 1/20 0.46
CYP3A4 P08684 1/20 0.46
GPBAR1 Q8TDU6 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MGAM O43451 1/20 0.46
HSD17B7 P56937 1/20 0.46

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
SCHEMBL9065981 1.00 SHBG (0.51) SHBGARKMT2ASRD5A1SRD5A2
SCHEMBL9066087 0.85 AR (0.49) SHBGARKMT2ASRD5A1SRD5A2
SCHEMBL9066083 0.85 AR (0.49) SHBGARKMT2ASRD5A1SRD5A2
SCHEMBL9066033 0.83 AR (0.47) SHBGARKMT2ASRD5A1SRD5A2
SCHEMBL9066031 0.76 AR (0.46) SHBGARKMT2ASRD5A1SRD5A2
SCHEMBL13656758 0.76 SRD5A1 (0.64) SRD5A1SRD5A2
SCHEMBL4265528 0.76 SRD5A1 (0.64) SRD5A1SRD5A2
SCHEMBL4265525 0.76 SRD5A1 (0.64) SRD5A1SRD5A2
SCHEMBL7751282 0.76 SRD5A1 (0.64) SRD5A1SRD5A2
SCHEMBL8528297 0.75 HSD17B7 (0.42) SHBGSRD5A1SRD5A2HSD17B7

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
US-5494914-A USEFUL FOR TREATMENT OF DISEASES WHOSE PROGRESS IS AIDED BY ACTIVATION OF ANDROGEN RECEPTORS ENDORECHERCHE (CA) 1996-02-27 US claimed