SCHEMBL13769267

SCHEMBL13769267

CC[C@]12CCC3C4CC/C(=N\C)C=C4C=CC3C1CCC2CCC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 4/20 0.38
▸ PGR P06401 3/20 0.38
▸ NR3C2 P08235 2/20 0.38
▸ PDK1 Q15118 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ PDK3 Q15120 1/20 0.32
▸ PDK4 Q16654 1/20 0.32

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
SCHEMBL13769268 1.00 AR (0.38) ARPGRNR3C2PDK1PDK2
SCHEMBL13768996 0.73 AR (0.43) ARPGRNR3C2
SCHEMBL6841944 0.70 AR (0.55) ARPGRNR3C2
SCHEMBL6841943 0.70 AR (0.55) ARPGRNR3C2
SCHEMBL11862137 0.68 AR (0.52) ARPGRNR3C2
SCHEMBL6692321 0.68 AR (0.52) ARPGRNR3C2
SCHEMBL13769016 0.67 AR (0.50) ARPGRNR3C2
SCHEMBL4108635 0.66 AR (0.55) ARPGRNR3C2
SCHEMBL4261966 0.66 AR (0.50) ARPGRNR3C2PDK1PDK2
SCHEMBL13769021 0.66 PGR (0.52) 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-2009083266-A1 17-HYDROXY-19-NOR-21-CARBOXYLIC ACID-STEROID γ-LACTONE DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING THE DERIVATIVE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-09 — — WO disclosed
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