SCHEMBL15417533

SCHEMBL15417533

C=CC1CC2=CC(=N)CC[C@@H]2C2CC[C@@]3(CC)C(C4CC4[C@@]34C=CCO4)C12

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 20/20 0.57
▸ PGR P06401 18/20 0.57
▸ NR3C2 P08235 8/20 0.47

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
SCHEMBL13557263 0.91 AR (0.69) ARPGRNR3C2
SCHEMBL12904818 0.91 AR (0.69) ARPGRNR3C2
SCHEMBL12904880 0.91 AR (0.69) ARPGRNR3C2
SCHEMBL15417470 0.90 AR (0.54) ARPGRNR3C2
SCHEMBL15417492 0.89 AR (0.54) ARPGRNR3C2
SCHEMBL12904841 0.88 AR (0.54) ARPGRNR3C2
SCHEMBL15417479 0.88 AR (0.54) ARPGRNR3C2
SCHEMBL15417395 0.84 AR (0.42) ARPGRNR3C2
SCHEMBL15417491 0.84 PGR (0.52) ARPGRNR3C2
SCHEMBL12942853 0.82 AR (0.48) 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-8623850-B2 15, 16-methylene-17-(1′-propenyl)-17,3′-oxidoestra-4-en-3-one derivative, use thereof, and medicament containing said derivative BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-07 — — US disclosed
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