SCHEMBL1859557

SCHEMBL1859557

C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)C=C[C@@H]43)[C@@H]1CCC2O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 10/20 0.46
▸ SHBG P04278 7/20 0.44
▸ SERPINA6 P08185 3/20 0.44
▸ SLC22A1 O15245 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ AR P10275 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ NR3C1 P04150 2/20 0.41
▸ PGR P06401 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ SNCA P37840 2/20 0.41
▸ CACNA1C Q13936 2/20 0.41
▸ CYP51A1 Q16850 2/20 0.41
▸ GPBAR1 Q8TDU6 2/20 0.41
▸ SIGMAR1 Q99720 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL13415931 0.82 CYP17A1 (0.59) CYP19A1ALDH1A1LMNACYP3A4MAPT
SCHEMBL1862462 0.81 SHBG (0.44) CYP19A1SHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL1859929 0.80 SHBG (0.43) CYP19A1SHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL1864731 0.80 SHBG (0.43) CYP19A1SHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL30140884 0.78 SHBG (0.59) CYP19A1SHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL7703808 0.78 SHBG (0.59) CYP19A1SHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL2832958 0.78 SHBG (0.59) CYP19A1SHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL1860492 0.78 CYP19A1 (0.44) CYP19A1SHBGARPGR
SCHEMBL1868136 0.77 CYP19A1 (0.52) CYP19A1CYP3A4
SCHEMBL1861922 0.77 CYP17A1 (0.39) CYP19A1SHBGSERPINA6SLC22A1ALDH1A1

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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