SCHEMBL8305094

SCHEMBL8305094

C=CCOC(=O)c1ccc(CS[C@@H]2CC(=O)N2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.43
CYP3A4 P08684 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
EPHX1 P07099 1/20 0.33

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
SCHEMBL8437403 0.85 SNCA (0.39) SNCACYP3A4MEN1KMT2AALDH1A1
SCHEMBL8442811 0.84 SNCA (0.37) SNCACYP3A4MEN1KMT2AALDH1A1
SCHEMBL8596008 0.84 SNCA (0.37) SNCACYP3A4MEN1KMT2AALDH1A1
SCHEMBL8593228 0.84 SNCA (0.37) SNCACYP3A4MEN1KMT2AALDH1A1
SCHEMBL8812272 0.84 SNCA (0.37) SNCACYP3A4MEN1KMT2AALDH1A1
SCHEMBL8305671 0.84 SNCA (0.38) SNCACYP3A4MEN1KMT2AALDH1A1
SCHEMBL8299788 0.84 SNCA (0.38) SNCACYP3A4MEN1KMT2AALDH1A1
SCHEMBL8652713 0.83 EPHX1 (0.36) SNCAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8720293 0.83 SNCA (0.36) SNCACYP3A4MEN1KMT2AALDH1A1
SCHEMBL8300761 0.78 SNCA (0.42) SNCACYP3A4MEN1KMT2AKDM4E

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-0915843-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSES SMITHKLINE BEECHAM PLC (GB) 1999-05-19 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