SCHEMBL8517128

SCHEMBL8517128

CCOC(=O)c1ccc(C[S+]([O-])C2CC(=O)N2C(C)COCCCCCC(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.37
ALDH1A1 P00352 5/20 0.37
HSP90AA1 P07900 1/20 0.37
KMT2A Q03164 4/20 0.35
KDM4E B2RXH2 2/20 0.35
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 3/20 0.33
CASP3 P42574 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
DRD1 P21728 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 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
SCHEMBL8374698 0.92 ALDH1A1 (0.36) MAPTALDH1A1HSP90AA1KMT2AKDM4E
SCHEMBL8374000 0.91 MEN1 (0.32) ALDH1A1KMT2AMEN1CHRM2HTR1A
SCHEMBL8375935 0.91 MAPT (0.38) MAPTALDH1A1HSP90AA1KMT2AKDM4E
SCHEMBL8517857 0.90 HTR1A (0.35) ALDH1A1KMT2AMEN1CHRM2HTR1A
SCHEMBL8591797 0.90 DRD2 (0.38) ALDH1A1KMT2AL3MBTL1MEN1CHRM2
SCHEMBL8375936 0.85 KMT2A (0.39) MAPTALDH1A1HSP90AA1KMT2AKDM4E
SCHEMBL8518033 0.85 MAPT (0.38) MAPTALDH1A1HSP90AA1KMT2AKDM4E
SCHEMBL8375951 0.83 BCHE (0.30)
SCHEMBL8377485 0.83 ALDH1A1 (0.36) MAPTALDH1A1HSP90AA1KMT2AKDM4E
SCHEMBL8378215 0.82 CXCR3 (0.35) HRH3

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-0900199-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1999-03-10 EP disclosed
WO-1997041099-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-11-06 WO disclosed