SCHEMBL13770481

SCHEMBL13770481

CCC1C2C(CCC1(CC)CCCCOC)C1CCC(=O)C=C1C1C[C@@H]12

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 18/20 0.41
▸ PGR P06401 17/20 0.41
▸ NR3C2 P08235 4/20 0.33
▸ CYP19A1 P11511 2/20 0.33

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
SCHEMBL13770653 0.82 AR (0.48) ARPGRNR3C2
SCHEMBL13770129 0.77 AR (0.46) ARPGRNR3C2
SCHEMBL13797345 0.74 PGR (0.48) ARPGRNR3C2CYP19A1
SCHEMBL13770301 0.72 AR (0.50) ARPGRNR3C2CYP19A1
SCHEMBL13797344 0.72 PGR (0.46) ARPGRNR3C2CYP19A1
SCHEMBL13770651 0.71 PGR (0.49) ARPGRNR3C2CYP19A1
SCHEMBL13797568 0.71 AR (0.48) ARPGRNR3C2
SCHEMBL13557235 0.70 AR (0.40) ARPGRNR3C2CYP19A1
SCHEMBL13770460 0.69 AR (0.49) ARPGRNR3C2CYP19A1
SCHEMBL13797499 0.68 AR (0.45) 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-2009083268-A2 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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