SCHEMBL6464435

SCHEMBL6464435

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

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.55
NR3C2 P08235 3/20 0.55
PGR P06401 9/20 0.55
SERPINA6 P08185 2/20 0.47
SLC22A1 O15245 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SHBG P04278 1/20 0.47
THRB P10828 1/20 0.47
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
CYP19A1 P11511 2/20 0.39

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
SCHEMBL17302821 0.86 AR (0.72) ARNR3C2PGRSERPINA6SLC22A1
SCHEMBL5026470 0.86 AR (0.72) ARNR3C2PGRSERPINA6SLC22A1
SCHEMBL13397510 0.85 AR (0.59) ARNR3C2PGRSERPINA6SLC22A1
SCHEMBL13770159 0.85 AR (0.59) ARNR3C2PGRSERPINA6SLC22A1
SCHEMBL13770461 0.85 AR (0.59) ARNR3C2PGRSERPINA6SLC22A1
SCHEMBL6462161 0.85 AR (0.74) ARNR3C2PGRSERPINA6SLC22A1
SCHEMBL6464786 0.83 AR (0.56) ARNR3C2PGRSERPINA6SLC22A1
SCHEMBL4211987 0.82 AR (0.58) ARNR3C2PGRSERPINA6SLC22A1
SCHEMBL4215694 0.82 AR (0.58) ARNR3C2PGRSERPINA6SLC22A1
SCHEMBL13334513 0.82 AR (0.58) ARNR3C2PGRSERPINA6SLC22A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6881728-B1 14-β, 17-α-hydroxymethylandrostane derivatives as androgens AKZO NOBEL N.V. (NL) 2005-04-19 US disclosed
EP-1163259-B1 14.BETA.,17-ALPHA-HYDROXYMETHYLANDROSTANE DERIVATIVES AS ANDROGENS AKZO NOBEL NV (NL) 2002-11-20 EP disclosed