SCHEMBL8305671

SCHEMBL8305671

C=CCOC(=O)c1ccc(CS[C@@H]2CC(=O)N2CC(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.34
TSHR P16473 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31

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
SCHEMBL8299788 1.00 SNCA (0.38) SNCAKMT2AMEN1CYP3A4TSHR
SCHEMBL8720293 0.89 SNCA (0.36) SNCAKMT2AMEN1CYP3A4L3MBTL1
SCHEMBL8300407 0.86 ALDH1A1 (0.42) KMT2AMEN1TSHRNPSR1ALDH1A1
SCHEMBL8305094 0.84 SNCA (0.43) SNCAKMT2AMEN1CYP3A4TSHR
SCHEMBL8437403 0.83 SNCA (0.39) SNCAKMT2AMEN1CYP3A4TSHR
SCHEMBL8593228 0.81 SNCA (0.37) SNCAKMT2AMEN1CYP3A4TSHR
SCHEMBL8596008 0.81 SNCA (0.37) SNCAKMT2AMEN1CYP3A4TSHR
SCHEMBL8442811 0.81 SNCA (0.37) SNCAKMT2AMEN1CYP3A4TSHR
SCHEMBL8812272 0.81 SNCA (0.37) SNCAKMT2AMEN1CYP3A4TSHR
SCHEMBL8652713 0.78 EPHX1 (0.36) SNCAKMT2AMEN1ALDH1A1ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915843-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSES SMITHKLINE BEECHAM PLC (GB) 1999-05-19 EP disclosed
EP-0869943-A1 MONOCYCLIC BETA-LACTAME DERIVATIVES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-10-14 EP disclosed
EP-0840725-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-05-13 EP disclosed
WO-1997041098-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-11-06 WO disclosed
WO-1997021675-A1 MONOCYCLIC BETA-LACTAME DERIVATIVES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-06-19 WO disclosed
WO-1997002242-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-01-23 WO disclosed