SCHEMBL13797495

SCHEMBL13797495

CCC1(C)CCC2C3CCC(=O)C=C3C=CC2C1[C@@H]1CC1OCCI

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 5/20 0.44
▸ PGR P06401 5/20 0.44
▸ NR3C2 P08235 2/20 0.44

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
SCHEMBL13557260 0.78 AR (0.51) ARPGRNR3C2
SCHEMBL9138228 0.77 AR (0.53) ARPGRNR3C2
SCHEMBL9138223 0.77 AR (0.53) ARPGRNR3C2
SCHEMBL13556649 0.74 AR (0.50) ARPGRNR3C2
SCHEMBL13474748 0.73 AR (0.60) ARPGRNR3C2
SCHEMBL13770134 0.73 AR (0.60) ARPGRNR3C2
SCHEMBL13797348 0.71 CYP19A1 (0.47) ARPGR
SCHEMBL13474770 0.70 AR (0.50) ARPGRNR3C2
SCHEMBL13770648 0.70 AR (0.44) ARPGRNR3C2
SCHEMBL4102313 0.70 AR (0.54) 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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