SCHEMBL13797336

SCHEMBL13797336

C=CC1CC2=CC(=N)CCC2C2CCC3(CC)C(C4CC4[C@@]34CCCO4)C12

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 18/20 0.48
▸ PGR P06401 17/20 0.48
▸ NR3C2 P08235 4/20 0.38

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
SCHEMBL12942853 1.00 AR (0.48) ARPGRNR3C2
SCHEMBL12942818 0.90 AR (0.60) ARPGRNR3C2
SCHEMBL12942764 0.90 AR (0.60) ARPGRNR3C2
SCHEMBL12942710 0.89 PGR (0.48) ARPGRNR3C2
SCHEMBL12942854 0.88 AR (0.44) ARPGRNR3C2
SCHEMBL12942768 0.88 PGR (0.45) ARPGRNR3C2
SCHEMBL12998937 0.85 AR (0.65) ARPGRNR3C2
SCHEMBL12942766 0.83 PGR (0.42) ARPGRNR3C2
SCHEMBL13062499 0.83 AR (0.56) ARPGRNR3C2
SCHEMBL15417533 0.82 AR (0.57) 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
WO-2009083271-A1 15,16-METHYLENE-17-(1'-PROPENYL)-17,3'-OXIDOESTRA-4-EN-3-ONE DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING SAID DERIVATIVE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-09 — — WO disclosed
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