SCHEMBL8593228

SCHEMBL8593228

C=CCOC(=O)c1ccc(CS[C@@H]2CC(=O)N2[C@H](C)C(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
FAAH O00519 3/20 0.33
MGLL Q99685 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
EPHX1 P07099 1/20 0.33
CYP3A4 P08684 1/20 0.33
OPRD1 P41143 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
SCHEMBL8442811 1.00 SNCA (0.37) SNCAMEN1KMT2AADRB2ADRB1
SCHEMBL8596008 1.00 SNCA (0.37) SNCAMEN1KMT2AADRB2ADRB1
SCHEMBL8652713 0.91 EPHX1 (0.36) SNCAMEN1KMT2AADRB2ADRB1
SCHEMBL8305094 0.84 SNCA (0.43) SNCAMEN1KMT2AADRB2ADRB1
SCHEMBL8437403 0.83 SNCA (0.39) SNCAMEN1KMT2AADRB2ADRB1
SCHEMBL8812272 0.82 SNCA (0.37) SNCAMEN1KMT2AADRB2ADRB1
SCHEMBL8305671 0.81 SNCA (0.38) SNCAMEN1KMT2AADRB2ADRB1
SCHEMBL8299788 0.81 SNCA (0.38) SNCAMEN1KMT2AADRB2ADRB1
SCHEMBL8720293 0.79 SNCA (0.36) SNCAMEN1KMT2AADRB2ADRB1
SCHEMBL8440266 0.79 ACE (0.46) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0840725-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-05-13 EP disclosed
WO-1997002242-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-01-23 WO disclosed