SCHEMBL7702632

SCHEMBL7702632

CCCC1CC2=CC(=O)C(OC(C)=O)C[C@@H]2[C@H]2CC[C@]3(C)CCC[C@H]3[C@H]12

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 14/20 0.36
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL7702629 0.80 PGR (0.33) CYP19A1PGRNR3C2AR
SCHEMBL6244893 0.79 SERPINA6 (0.41) CYP19A1PGRAR
SCHEMBL8083275 0.75 CYP19A1 (0.49) CYP19A1
SCHEMBL8083240 0.74 CYP19A1 (0.49) CYP19A1
SCHEMBL7796339 0.74 CYP19A1 (0.48) CYP19A1
SCHEMBL7115110 0.73 LMNA (0.55) CYP19A1PGR
SCHEMBL9616583 0.72 CYP19A1 (0.36) CYP19A1PGRNR3C2AR
SCHEMBL3647269 0.72 CYP19A1 (0.37) CYP19A1PGRNR3C2AR
SCHEMBL8382698 0.72 LMNA (0.40) CYP19A1PGRAR
SCHEMBL8376991 0.71 AR (0.35) PGRNR3C2AR

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 claimed
WO-2000059920-A2 ORALLY ACTIVE 7.ALPHA.-ALKYL ANDROGENS AKZO NOBEL N.V. (NL) 2000-10-12 WO claimed