SCHEMBL30743124

SCHEMBL30743124

CC(C)(C)OC(=O)N1CC=C(c2ccc([N+](=O)[O-])cc2CO)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.49
HTR6 P50406 1/20 0.48
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
JAK1 P23458 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
GRM1 Q13255 7/20 0.43
GRM5 P41594 6/20 0.43
SCN9A Q15858 1/20 0.42
CNR1 P21554 1/20 0.42
NAMPT P43490 1/20 0.42
DGAT2 Q96PD7 1/20 0.41
ADAM10 O14672 1/20 0.40
ERBB2 P04626 1/20 0.40

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
SCHEMBL16824861 1.00 PDK4 (0.49) PDK4HTR6ALDH1A1LMNAMAPT
SCHEMBL522085 0.87 PDK4 (0.52) PDK4HTR6ALDH1A1LMNAMAPT
SCHEMBL29864873 0.87 PDK4 (0.52) PDK4HTR6ALDH1A1LMNAMAPT
SCHEMBL29535433 0.86 PDK4 (0.51) PDK4HTR6ALDH1A1LMNAMAPT
SCHEMBL10036179 0.86 PDK4 (0.51) PDK4HTR6ALDH1A1LMNAMAPT
SCHEMBL16385571 0.86 PDK4 (0.51) PDK4HTR6ALDH1A1LMNAMAPT
SCHEMBL282496 0.85 PDK4 (0.50) PDK4HTR6ALDH1A1LMNAMAPT
SCHEMBL6365955 0.85 PDK4 (0.52) PDK4HTR6ALDH1A1LMNAMAPT
SCHEMBL519962 0.84 PDK4 (0.49) PDK4HTR6ALDH1A1LMNAMAPT
SCHEMBL5004734 0.84 PDK4 (0.51) PDK4HTR6ALDH1A1LMNAMAPT

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-2024015346-A1 CEREBLON LIGANDS AND USES THEREOF ONCOPIA THERAPEUTICS, INC. d.b.a PROTEOVANT THERAPEUTICS, INC. (US) 2024-01-18 WO disclosed