SCHEMBL16715981

SCHEMBL16715981

C[C@]12CCC3C(CC4(CC4)C4=CC(=N)CC[C@@H]43)C1CC[C@@]21C=CCO1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 19/20 0.59
▸ PGR P06401 17/20 0.59
▸ NR3C2 P08235 11/20 0.59

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
SCHEMBL13013558 0.89 AR (0.73) ARPGRNR3C2
SCHEMBL13013598 0.85 AR (0.56) ARPGRNR3C2
SCHEMBL16715972 0.85 AR (0.61) ARPGRNR3C2
SCHEMBL16715974 0.84 AR (0.78) ARPGRNR3C2
SCHEMBL12923973 0.82 PGR (0.82) ARPGRNR3C2
SCHEMBL15417532 0.79 AR (0.52) ARPGRNR3C2
SCHEMBL16715970 0.79 AR (0.56) ARPGRNR3C2
SCHEMBL13062180 0.78 PGR (0.47) ARPGRNR3C2
SCHEMBL16715979 0.77 AR (0.62) ARPGRNR3C2
SCHEMBL16715982 0.76 AR (0.80) 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
Send feedback