SCHEMBL1860460

SCHEMBL1860460

C[C@@]12CCC[C@H]1[C@@H]1C=CC3=CC(O)C=C[C@@H]3[C@H]1CC2

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 3/20 0.33
▸ SHBG P04278 1/20 0.33
▸ NR1I3 Q14994 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
SCHEMBL1862462 0.80 SHBG (0.44) CYP19A1SHBG
SCHEMBL1860492 0.79 CYP19A1 (0.44) CYP19A1SHBG
SCHEMBL1865610 0.78 CYP19A1 (0.33) CYP19A1SHBG
SCHEMBL1867163 0.78 CYP19A1 (0.46) CYP19A1
SCHEMBL9264391 0.77 CYP19A1 (0.35) CYP19A1SHBG
SCHEMBL10437175 0.77 CYP19A1 (0.35) CYP19A1SHBG
SCHEMBL1861033 0.76 SHBG (0.34) CYP19A1SHBGNR1I3
SCHEMBL1864539 0.75 CYP19A1 (0.34) CYP19A1
SCHEMBL3766873 0.73 CYP19A1 (0.32) CYP19A1SHBGNR1I3
SCHEMBL1861924 0.72 CYP17A1 (0.50) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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