SCHEMBL8767314

SCHEMBL8767314

CCCCS(=O)(=O)C(CC(=O)CN1CCC1=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.38
ALDH1A1 P00352 3/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.35
RCE1 Q9Y256 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
POLB P06746 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL8766856 0.83 HTT (0.39) ALDH1A1HTTLMNARCE1MEN1
SCHEMBL8767339 0.76 HTT (0.38) PKMALDH1A1HTTLMNAMEN1
SCHEMBL8767413 0.75 PKM (0.37) PKMALDH1A1HTTLMNAMEN1
SCHEMBL8766468 0.75 PKM (0.41) PKMHTTLMNAADRA1DADRA1A
SCHEMBL8767579 0.73 PKM (0.40) PKMHTTLMNAMEN1KMT2A
SCHEMBL8766787 0.71 HTT (0.39) ALDH1A1HTTLMNAMEN1KMT2A
SCHEMBL8553752 0.68 CACNA2D1 (0.40) PKMHTTLMNAMEN1KMT2A
SCHEMBL8772451 0.68 LMNA (0.40) PKMALDH1A1HTTLMNAMEN1
SCHEMBL8772395 0.67 LMNA (0.39) PKMALDH1A1HTTLMNAMEN1
SCHEMBL8767549 0.66 LMNA (0.39) LMNA

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
EP-0788478-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-08-13 EP claimed