SCHEMBL7700801

SCHEMBL7700801

C=CC1CC2=CC(=O)CC[C@@H]2[C@H]2CCC3(CC)C(O)CC[C@H]3[C@H]12

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.58
PGR P06401 11/20 0.58
NR3C2 P08235 3/20 0.53
SHBG P04278 2/20 0.47
SLC22A1 O15245 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SERPINA6 P08185 1/20 0.47
THRB P10828 1/20 0.47
CYP19A1 P11511 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
KMT2A Q03164 1/20 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
SCHEMBL6836544 1.00 AR (0.58) ARPGRNR3C2SHBGSLC22A1
SCHEMBL7700797 1.00 AR (0.58) ARPGRNR3C2SHBGSLC22A1
SCHEMBL6836545 1.00 AR (0.58) ARPGRNR3C2SHBGSLC22A1
SCHEMBL13770171 0.89 AR (0.58) ARPGRNR3C2CYP19A1
SCHEMBL13770500 0.86 AR (0.56) ARPGRNR3C2SHBGSLC22A1
SCHEMBL4107737 0.85 AR (0.57) ARPGRNR3C2SHBGCYP19A1
SCHEMBL4112702 0.85 AR (0.57) ARPGRNR3C2SHBGCYP19A1
SCHEMBL11857527 0.85 AR (0.71) ARPGRNR3C2SHBGSLC22A1
SCHEMBL11865080 0.85 AR (0.71) ARPGRNR3C2SHBGSLC22A1
SCHEMBL6693185 0.85 AR (0.71) ARPGRNR3C2SHBGSLC22A1

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
EP-1212345-A2 ORALLY ACTIVE 7.ALPHA.-ALKYL ANDROGENS Akzo Nobel N.V. (NL) 2002-06-12 EP disclosed
WO-2000059920-A2 ORALLY ACTIVE 7.ALPHA.-ALKYL ANDROGENS AKZO NOBEL N.V. (NL) 2000-10-12 WO disclosed