SCHEMBL9627682

SCHEMBL9627682

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

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 13/20 0.55
AR P10275 5/20 0.47
PGR P06401 4/20 0.45
NR3C2 P08235 2/20 0.45
SLC22A1 O15245 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SHBG P04278 1/20 0.42
SERPINA6 P08185 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL7020267 1.00 CYP19A1 (0.55) CYP19A1ARPGRNR3C2SLC22A1
SCHEMBL7027408 0.90 CYP19A1 (0.55) CYP19A1ARPGRNR3C2
SCHEMBL9626851 0.87 CYP19A1 (0.49) CYP19A1ARPGRNR3C2SERPINA6
SCHEMBL7030182 0.87 CYP19A1 (0.49) CYP19A1ARPGRNR3C2SERPINA6
SCHEMBL13809835 0.86 CYP19A1 (0.60) CYP19A1ARPGRNR3C2
SCHEMBL6905409 0.85 AR (0.67) CYP19A1ARPGRNR3C2SLC22A1
SCHEMBL4259619 0.85 AR (0.67) CYP19A1ARPGRNR3C2SLC22A1
SCHEMBL6853055 0.84 CYP19A1 (0.51) CYP19A1ARPGRNR3C2SERPINA6
SCHEMBL1656778 0.84 CYP19A1 (0.62) CYP19A1ARPGRNR3C2
SCHEMBL5973825 0.84 CYP19A1 (0.62) CYP19A1ARPGRNR3C2

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
US-5145847-A Antiestrogens SCHERING AKTIENGESELLSCHAFT (DE) 1992-09-08 US disclosed
EP-0410554-A2 14,17-Alpha-ethano- and ethano-estratrienes, process for their production and their use in the production of pharmaceuticals SCHERING AKTIENGESELLSCHAFT (DE) 1991-01-30 EP disclosed