SCHEMBL16715982

SCHEMBL16715982

C[C@]12CCC3C(C=CC4=CC(=N)CC[C@@H]43)C1CC[C@@]21C=CCO1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 20/20 0.80
▸ PGR P06401 18/20 0.80
▸ NR3C2 P08235 11/20 0.80

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
SCHEMBL13013564 0.89 AR (1.00) ARPGRNR3C2
SCHEMBL13013797 0.89 AR (1.00) ARPGRNR3C2
SCHEMBL13013605 0.85 AR (0.75) ARPGRNR3C2
SCHEMBL15417534 0.79 AR (0.52) ARPGRNR3C2
SCHEMBL13062170 0.78 AR (0.50) ARPGRNR3C2
SCHEMBL16715974 0.78 AR (0.78) ARPGRNR3C2
SCHEMBL16715983 0.76 AR (0.58) ARPGRNR3C2
SCHEMBL16715980 0.76 AR (0.80) ARPGRNR3C2
SCHEMBL16715978 0.75 AR (0.63) ARPGRNR3C2
SCHEMBL12923953 0.74 AR (1.00) ARPGRNR3C2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9034856-B2 17-(1′propenyl)-17-3′-oxidoestra-4-en-3-one derivative, use thereof, and medicament containing said derivative BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-19 — — US disclosed
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