SCHEMBL16715968

SCHEMBL16715968

CC[C@]12CCC3C(CC(CO)C4=CC(=N)CC[C@@H]43)C1CC[C@@]21C=CCO1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 20/20 0.82
▸ PGR P06401 18/20 0.82
▸ NR3C2 P08235 10/20 0.82

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
SCHEMBL13013837 0.90 AR (1.00) ARPGRNR3C2
SCHEMBL13013621 0.90 AR (1.00) ARPGRNR3C2
SCHEMBL13013754 0.90 AR (1.00) ARPGRNR3C2
SCHEMBL13013652 0.88 AR (0.79) ARPGRNR3C2
SCHEMBL16715979 0.87 AR (0.62) ARPGRNR3C2
SCHEMBL12924010 0.84 AR (0.84) ARPGRNR3C2
SCHEMBL16715976 0.82 AR (0.60) ARPGRNR3C2
SCHEMBL15417487 0.82 AR (0.56) ARPGRNR3C2
SCHEMBL16715966 0.81 AR (0.80) ARPGRNR3C2
SCHEMBL16715972 0.79 AR (0.61) 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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