SCHEMBL7704185

SCHEMBL7704185

CCCCCCCCCCC(=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 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.62
LMNA P02545 2/20 0.59
MAPT P10636 2/20 0.59
PGR P06401 5/20 0.43
NR3C2 P08235 2/20 0.43
SERPINA6 P08185 2/20 0.42
SLC22A1 O15245 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SHBG P04278 1/20 0.42
THRB P10828 1/20 0.42
CYP19A1 P11511 6/20 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
SCHEMBL6012180 0.87 AR (0.78) ARLMNAMAPTPGRNR3C2
SCHEMBL7702771 0.86 AR (0.66) ARLMNAMAPTPGRNR3C2
SCHEMBL7700533 0.83 AR (0.63) ARLMNAMAPTPGRNR3C2
SCHEMBL7704209 0.81 AR (0.60) ARLMNAMAPTPGRNR3C2
SCHEMBL6462161 0.80 AR (0.74) ARLMNAMAPTPGRNR3C2
SCHEMBL13216965 0.79 AR (0.64) ARLMNAMAPTPGRNR3C2
SCHEMBL2834009 0.78 AR (0.71) ARLMNAMAPTPGRNR3C2
SCHEMBL13216966 0.78 AR (0.71) ARLMNAMAPTPGRNR3C2
SCHEMBL7111536 0.77 AR (1.00) ARLMNAMAPTPGRCYP19A1
SCHEMBL12355412 0.77 AR (1.00) ARLMNAMAPTPGRCYP19A1

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