SCHEMBL8938128

SCHEMBL8938128

CCON1C(=O)c2cccc(C)c2C1=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
DPP4 P27487 1/20 0.44
GAA P10253 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TYMS P04818 3/20 0.41

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
SCHEMBL9491238 0.87 TDP1 (0.54) TDP1DPP4GAAALDH1A1MAPT
SCHEMBL13495393 0.81 DPP4 (0.47) DPP4ALDH1A1TYMS
SCHEMBL2081294 0.80 GAA (0.62) TDP1GAAALDH1A1MAPTHTT
Water SCHEMBL8678452 0.78 GAA (0.60) TDP1GAAALDH1A1MAPTHTT
Water SCHEMBL8678453 0.78 GAA (0.60) TDP1GAAALDH1A1MAPTHTT
SCHEMBL28334287 0.78 POLB (0.48) TDP1DPP4TYMS
SCHEMBL13700531 0.77 TYMS (0.47) DPP4TYMS
SCHEMBL13707191 0.76 TDP1 (0.73) TDP1GAAALDH1A1MAPTHTT
SCHEMBL27614683 0.75 TYMS (0.46) DPP4TYMS
SCHEMBL13700529 0.74 TYMS (0.45) DPP4TYMS

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0635023-A4 COVALENTLY CROSS-LINKED OLIGONUCLEOTIDES. ISIS PHARMACEUTICALS INC (US) 1996-03-20 EP disclosed
EP-0635023-A1 COVALENTLY CROSS-LINKED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 1995-01-25 EP disclosed
WO-1993018052-A1 COVALENTLY CROSS-LINKED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 1993-09-16 WO disclosed