SCHEMBL15417408

SCHEMBL15417408

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

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 19/20 0.52
▸ PGR P06401 17/20 0.52
▸ NR3C2 P08235 7/20 0.52

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
SCHEMBL15417402 0.90 AR (0.53) ARPGRNR3C2
SCHEMBL12904785 0.89 AR (0.66) ARPGRNR3C2
SCHEMBL12904945 0.89 AR (0.66) ARPGRNR3C2
SCHEMBL12904983 0.89 AR (0.66) ARPGRNR3C2
SCHEMBL15417490 0.88 AR (0.54) ARPGRNR3C2
SCHEMBL15417492 0.86 AR (0.54) ARPGRNR3C2
SCHEMBL12904802 0.86 AR (0.50) ARPGRNR3C2
SCHEMBL15417401 0.85 AR (0.50) ARPGRNR3C2
SCHEMBL15417407 0.84 AR (0.52) ARPGRNR3C2
SCHEMBL13797672 0.80 AR (0.58) 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