SCHEMBL1868136

SCHEMBL1868136

C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)C=C[C@@H]43)[C@@H]1CCC2=O

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 18/20 0.52
▸ CYP3A4 P08684 1/20 0.44

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
SCHEMBL1860990 0.82 CYP19A1 (0.46) CYP19A1
SCHEMBL1867163 0.81 CYP19A1 (0.46) CYP19A1
SCHEMBL1857255 0.81 CYP19A1 (0.46) CYP19A1
SCHEMBL1860492 0.80 CYP19A1 (0.44) CYP19A1
SCHEMBL1656805 0.78 AR (0.58) CYP19A1
SCHEMBL13809834 0.78 AR (0.58) CYP19A1
SCHEMBL7698849 0.78 CYP19A1 (0.52) CYP19A1
SCHEMBL1856343 0.77 CYP19A1 (0.43) CYP19A1
SCHEMBL1859557 0.77 CYP19A1 (0.46) CYP19A1CYP3A4
SCHEMBL8402139 0.77 CYP19A1 (0.51) CYP19A1

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-7939517-B2 1,4,6-androstatriene-3,17-dione (“ATD”) for therapeutic uses KNELLER BRUCE W 2011-05-10 — — US claimed
US-20060154909-A1 1,4,6-androstatriene-3,17-dione (\"ATD\") for therapeutic uses KNELLER BRUCE W 2006-07-13 — — US claimed
US-7939517-B2 1,4,6-androstatriene-3,17-dione (“ATD”) for therapeutic uses KNELLER BRUCE W 2011-05-10 — — US disclosed
US-20060154909-A1 1,4,6-androstatriene-3,17-dione (\"ATD\") for therapeutic uses KNELLER BRUCE W 2006-07-13 — — US disclosed
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