SCHEMBL13769269

SCHEMBL13769269

C=C1CC2C(CC[C@](CC)(CCCC(=O)O)C2CCC)C2CC/C(=N\C)C=C12

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 1/20 0.31
▸ PDK2 Q15119 1/20 0.31
▸ PDK3 Q15120 1/20 0.31
▸ PDK4 Q16654 1/20 0.31

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
SCHEMBL13769270 0.79 PDK1 (0.34) PDK1PDK2PDK3PDK4
SCHEMBL13768826 0.73 — —
SCHEMBL13769023 0.71 PGR (0.43) —
SCHEMBL13769017 0.68 AR (0.44) —
SCHEMBL13768466 0.64 CYP19A1 (0.37) —
SCHEMBL13796033 0.64 CYP19A1 (0.35) —
SCHEMBL13770307 0.63 PGR (0.37) PDK1PDK2PDK3PDK4
SCHEMBL13768840 0.62 PGR (0.36) PDK1PDK2PDK3PDK4
SCHEMBL13796904 0.62 PGR (0.37) PDK1PDK2PDK3PDK4
SCHEMBL13769015 0.61 PDK1 (0.33) PDK1PDK2PDK3PDK4

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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