SCHEMBL15417532

SCHEMBL15417532

C[C@]12CCC3C(CC4(CC4)C4=CC(=N)CC[C@@H]43)C1C1CC1[C@@]21C=CCO1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 19/20 0.52
▸ PGR P06401 18/20 0.52
▸ NR3C2 P08235 8/20 0.39

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
SCHEMBL12904795 0.89 AR (0.66) ARPGRNR3C2
SCHEMBL12904811 0.86 PGR (0.50) ARPGRNR3C2
SCHEMBL15417535 0.86 AR (0.45) ARPGRNR3C2
SCHEMBL15417401 0.85 AR (0.50) ARPGRNR3C2
SCHEMBL15417475 0.80 AR (0.36) ARPGRNR3C2
SCHEMBL12942814 0.80 PGR (0.58) ARPGRNR3C2
SCHEMBL15417445 0.79 AR (0.55) ARPGRNR3C2
SCHEMBL16715981 0.79 AR (0.59) ARPGRNR3C2
SCHEMBL15417407 0.78 AR (0.52) ARPGRNR3C2
SCHEMBL12998918 0.77 PGR (0.82) 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
Send feedback