SCHEMBL8767413

SCHEMBL8767413

CCCC[S+]([O-])C(CC(=O)CN1CCC1=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 3/20 0.33
DRD3 P35462 1/20 0.32

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
SCHEMBL8767579 0.96 PKM (0.40) PKMLMNAHTTMEN1KMT2A
SCHEMBL8772395 0.84 LMNA (0.39) PKMLMNAHTTMEN1KMT2A
SCHEMBL8766787 0.84 HTT (0.39) LMNAHTTMEN1KMT2AADRA1D
SCHEMBL8767339 0.76 HTT (0.38) PKMLMNAHTTMEN1KMT2A
SCHEMBL8767314 0.75 PKM (0.38) PKMLMNAHTTMEN1KMT2A
SCHEMBL8766468 0.74 PKM (0.41) PKMLMNAHTTADRA1DADRA1A
SCHEMBL8767549 0.72 LMNA (0.39) LMNA
SCHEMBL8766856 0.71 HTT (0.39) LMNAHTTMEN1KMT2AADRA1D
SCHEMBL8766792 0.70 TRPA1 (0.40) LMNA
SCHEMBL8553752 0.69 CACNA2D1 (0.40) PKMLMNAHTTMEN1KMT2A

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