SCHEMBL8720293

SCHEMBL8720293

C=CCOC(=O)c1ccc(CSC2CC(=O)N2CC(=O)OC)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.36
KMT2A Q03164 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
EPHX1 P07099 1/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
CYP3A4 P08684 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
SCHEMBL8305671 0.89 SNCA (0.38) SNCAKMT2AL3MBTL1ADRB2ADRB1
SCHEMBL8299788 0.89 SNCA (0.38) SNCAKMT2AL3MBTL1ADRB2ADRB1
SCHEMBL8811940 0.87
SCHEMBL8603296 0.83 ALDH1A1 (0.42) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL8305094 0.83 SNCA (0.43) SNCAKMT2AEPHX1ADRB2ADRB1
SCHEMBL8652713 0.82 EPHX1 (0.36) SNCAKMT2AEPHX1ADRB2ADRB1
SCHEMBL8437403 0.80 SNCA (0.39) SNCAKMT2AADRB2ADRB1ADRB3
SCHEMBL8438716 0.79 MAPT (0.43) KMT2AMEN1SMN1; SMN2
SCHEMBL27500418 0.79 EPHX1 (0.34) SNCAEPHX1ADRB2ADRB1ADRB3
SCHEMBL8593228 0.79 SNCA (0.37) SNCAKMT2AEPHX1ADRB2ADRB1

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-0869943-A1 MONOCYCLIC BETA-LACTAME DERIVATIVES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-10-14 EP 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