SCHEMBL7700533

SCHEMBL7700533

C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@]3(C)[C@H](COC(=O)C(C)(C)C)CC[C@@H]3[C@@H]21

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.63
PGR P06401 7/20 0.46
NR3C2 P08235 2/20 0.46
SERPINA6 P08185 2/20 0.43
SHBG P04278 3/20 0.43
ALDH1A1 P00352 2/20 0.43
SLC22A1 O15245 1/20 0.43
THRB P10828 1/20 0.43
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.42
NR1I2 O75469 1/20 0.41
NR3C1 P04150 1/20 0.41
MCL1 Q07820 1/20 0.38
CYP1A2 P05177 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL7702771 0.90 AR (0.66) ARPGRNR3C2SERPINA6SHBG
SCHEMBL7704209 0.85 AR (0.60) ARPGRNR3C2SERPINA6SHBG
SCHEMBL7704185 0.83 AR (0.62) ARPGRNR3C2SERPINA6SHBG
SCHEMBL6462161 0.83 AR (0.74) ARPGRNR3C2SERPINA6SHBG
SCHEMBL13216965 0.82 AR (0.64) ARPGRNR3C2SERPINA6SHBG
SCHEMBL13216966 0.81 AR (0.71) ARPGRNR3C2SERPINA6SHBG
SCHEMBL2834009 0.81 AR (0.71) ARPGRNR3C2SERPINA6SHBG
SCHEMBL7885462 0.78 AR (0.72) ARPGRNR3C2SERPINA6SHBG
SCHEMBL6464133 0.78 AR (0.72) ARPGRNR3C2SERPINA6SHBG
SCHEMBL2965005 0.78 AR (0.63) 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