SCHEMBL13557263

SCHEMBL13557263

C=CC1CC2=CC(=O)CCC2C2CCC3(CC)C(C12)[C@@H]1CC1[C@@]31C=CCO1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 20/20 0.69
▸ PGR P06401 18/20 0.69
▸ NR3C2 P08235 8/20 0.57

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
SCHEMBL12904818 1.00 AR (0.69) ARPGRNR3C2
SCHEMBL12904880 1.00 AR (0.69) ARPGRNR3C2
SCHEMBL15417533 0.91 AR (0.57) ARPGRNR3C2
SCHEMBL12905003 0.89 AR (0.67) ARPGRNR3C2
SCHEMBL12904881 0.89 AR (0.67) ARPGRNR3C2
SCHEMBL12904878 0.89 AR (0.67) ARPGRNR3C2
SCHEMBL12904962 0.89 AR (0.67) ARPGRNR3C2
SCHEMBL12904816 0.89 AR (0.67) ARPGRNR3C2
SCHEMBL12904841 0.88 AR (0.54) ARPGRNR3C2
SCHEMBL12904874 0.88 AR (0.67) 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
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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