SCHEMBL8555621

SCHEMBL8555621

C=CCOC(=O)c1ccc(CSC2CC(CC(=O)C(=O)O)N2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.39
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
CYP3A4 P08684 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 2/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 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
SCHEMBL8552562 0.90 SNCA (0.36) SNCAKMT2AMEN1CYP3A4CA1
SCHEMBL27511864 0.85 SNCA (0.41) SNCAKMT2AMEN1CYP3A4CA1
SCHEMBL8300761 0.78 SNCA (0.42) SNCAKMT2AMEN1CYP3A4CA1
SCHEMBL27511532 0.71 SMN1; SMN2 (0.44) KMT2AMEN1CYP3A4CA1CA2
SCHEMBL27484039 0.70 SNCA (0.51) SNCAKMT2AMEN1CYP3A4ALDH1A1
SCHEMBL175786 0.69 SNCA (0.67) SNCAKMT2AMEN1CYP3A4CA1
SCHEMBL8305094 0.69 SNCA (0.43) SNCAKMT2AMEN1CYP3A4ALDH1A1
SCHEMBL8305671 0.69 SNCA (0.38) SNCAKMT2AMEN1CYP3A4CA1
SCHEMBL10590383 0.68 SNCA (0.55) SNCAKMT2AMEN1CYP3A4CA1
SCHEMBL31222822 0.68 SNCA (0.49) SNCAKMT2AMEN1CYP3A4ALDH1A1

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