SCHEMBL13769270

SCHEMBL13769270

CCCC1C2C(C3CC3)CC3=C/C(=N/C)CCC3C2CC[C@]1(CC)CCCC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 1/20 0.34
▸ PDK2 Q15119 1/20 0.34
▸ PDK3 Q15120 1/20 0.34
▸ PDK4 Q16654 1/20 0.34
▸ PGR P06401 3/20 0.34
▸ AR P10275 3/20 0.34
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL13768840 0.79 PGR (0.36) PDK1PDK2PDK3PDK4PGR
SCHEMBL13769269 0.79 PDK1 (0.31) PDK1PDK2PDK3PDK4
SCHEMBL13770128 0.78 AR (0.46) PGRARLMNAMAPT
SCHEMBL13768718 0.74 AR (0.45) PGRARLMNAMAPT
SCHEMBL13796904 0.71 PGR (0.37) PDK1PDK2PDK3PDK4PGR
SCHEMBL13770468 0.70 PDK1 (0.40) PDK1PDK2PDK3PDK4PGR
SCHEMBL13769023 0.68 PGR (0.43) PGRARLMNAMAPT
SCHEMBL13769017 0.68 AR (0.44) PGRARLMNAMAPT
SCHEMBL13769015 0.67 PDK1 (0.33) PDK1PDK2PDK3PDK4PGR
SCHEMBL13770298 0.67 AR (0.52) PGRAR

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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