SCHEMBL6462161

SCHEMBL6462161

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 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.74
PGR P06401 8/20 0.53
NR3C2 P08235 3/20 0.53
SHBG P04278 3/20 0.50
SERPINA6 P08185 2/20 0.50
SLC22A1 O15245 1/20 0.50
ALDH1A1 P00352 1/20 0.50
THRB P10828 1/20 0.50
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
CYP19A1 P11511 2/20 0.42

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
SCHEMBL13216966 0.91 AR (0.71) ARPGRNR3C2SHBGSERPINA6
SCHEMBL2834009 0.91 AR (0.71) ARPGRNR3C2SHBGSERPINA6
SCHEMBL6464786 0.87 AR (0.56) ARPGRNR3C2SHBGSERPINA6
SCHEMBL7702771 0.86 AR (0.66) ARPGRNR3C2SHBGSERPINA6
SCHEMBL6464435 0.85 AR (0.55) ARPGRNR3C2SHBGSERPINA6
SCHEMBL24103284 0.85 AR (1.00) ARPGRNR3C2SHBGSERPINA6
SCHEMBL24103286 0.85 AR (1.00) ARPGRNR3C2SHBGSERPINA6
SCHEMBL223290 0.85 AR (1.00) ARPGRNR3C2SHBGSERPINA6
SCHEMBL5026430 0.85 AR (1.00) ARPGRNR3C2SHBGSERPINA6
SCHEMBL24102494 0.85 AR (1.00) ARPGRNR3C2SHBGSERPINA6

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 4 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
EP-1163259-A1 14.BETA.,17-ALPHA-HYDROXYMETHYLANDROSTANE DERIVATIVES AS ANDROGENS Akzo Nobel N.V. (NL) 2001-12-19 EP disclosed
WO-2000053619-A1 14.BETA., 17-ALPHA-HYDROXYMETHYLANDROSTANE DERIVATIVES AS ANDROGENS AKZO NOBEL N.V. (NL) 2000-09-14 WO disclosed