SCHEMBL7702771

SCHEMBL7702771

CC(=O)OC[C@@H]1CC[C@@H]2[C@H]3[C@H](CC[C@]12C)[C@H]1CCC(=O)C=C1C[C@H]3C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.66
PGR P06401 8/20 0.50
NR3C2 P08235 2/20 0.50
SERPINA6 P08185 2/20 0.48
SHBG P04278 2/20 0.45
SLC22A1 O15245 1/20 0.45
ALDH1A1 P00352 1/20 0.45
THRB P10828 1/20 0.45
MAPT P10636 4/20 0.44
LMNA P02545 1/20 0.44
NR3C1 P04150 1/20 0.40
CHRM2 P08172 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40
TBXA2R P21731 1/20 0.40
SLC6A2 P23975 1/20 0.40
CYP2C19 P33261 1/20 0.40
ADRA1A P35348 1/20 0.40
ABCB11 O95342 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL13216965 0.90 AR (0.64) ARPGRNR3C2SERPINA6SHBG
SCHEMBL7700533 0.90 AR (0.63) ARPGRNR3C2SERPINA6SHBG
SCHEMBL7704209 0.87 AR (0.60) ARPGRNR3C2SERPINA6SHBG
SCHEMBL7704185 0.86 AR (0.62) ARPGRNR3C2SERPINA6SHBG
SCHEMBL6462161 0.86 AR (0.74) ARPGRNR3C2SERPINA6SHBG
SCHEMBL13216966 0.84 AR (0.71) ARPGRNR3C2SERPINA6SHBG
SCHEMBL2834009 0.84 AR (0.71) ARPGRNR3C2SERPINA6SHBG
Trestolone Acetate SCHEMBL7779251 0.83 AR (0.70) ARPGRNR3C2SERPINA6SHBG
Trestolone Acetate SCHEMBL2787569 0.83 AR (0.70) ARPGRNR3C2SERPINA6SHBG
Trestolone Acetate SCHEMBL12101463 0.83 AR (0.70) ARPGRNR3C2SERPINA6SHBG

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-1163259-B1 14.BETA.,17-ALPHA-HYDROXYMETHYLANDROSTANE DERIVATIVES AS ANDROGENS AKZO NOBEL NV (NL) 2002-11-20 EP disclosed