SCHEMBL13557231

SCHEMBL13557231

C=CCC12CCC3C4CCC(=O)C=C4C=CC3C1C1CC1C21C=CCO1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 20/20 0.54
▸ NR3C2 P08235 11/20 0.54
▸ PGR P06401 18/20 0.50

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
SCHEMBL12904830 0.88 AR (0.67) ARNR3C2PGR
SCHEMBL13797343 0.88 AR (0.67) ARNR3C2PGR
SCHEMBL12904958 0.88 AR (0.67) ARNR3C2PGR
SCHEMBL12904873 0.88 AR (0.67) ARNR3C2PGR
SCHEMBL13797041 0.88 AR (0.54) ARNR3C2PGR
SCHEMBL12904942 0.82 AR (0.65) ARNR3C2PGR
SCHEMBL12904797 0.82 AR (0.65) ARNR3C2PGR
SCHEMBL12904908 0.82 AR (0.65) ARNR3C2PGR
SCHEMBL12904977 0.82 AR (0.65) ARNR3C2PGR
SCHEMBL12904982 0.82 AR (0.65) ARNR3C2PGR

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
EP-2238148-B1 15,16-METHYLENE-17-(1'-PROPENYL)-17,3'-OXIDOESTRA-4-EN-3-ONE DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING SAID DERIVATIVE BAYER IP GMBH (DE) 2012-10-24 — — EP disclosed
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