SCHEMBL8299258

SCHEMBL8299258

CC(OC(=O)SC[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O)ON(O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 8/20 0.52
REN P00797 4/20 0.52
KDM4E B2RXH2 1/20 0.52
F2 P00734 1/20 0.52
LMNA P02545 1/20 0.52
LTA4H P09960 1/20 0.52
MAPT P10636 1/20 0.52
PEPD P12955 1/20 0.52
ALOX15 P16050 1/20 0.52
PTGS1 P23219 1/20 0.52
HTR2A P28223 1/20 0.52
PTGS2 P35354 1/20 0.52
HRH1 P35367 1/20 0.52
THPO P40225 1/20 0.52
PMP22 Q01453 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ACE2 Q9BYF1 1/20 0.52
RAB9A P51151 1/20 0.43

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
SCHEMBL8300102 0.85 ACE (0.46) ACERENKDM4EF2LMNA
SCHEMBL8301880 0.85 ACE (0.46) ACERENKDM4EF2LMNA
SCHEMBL8301903 0.83 ACE (0.35) ACERENKDM4EF2LMNA
SCHEMBL8302019 0.83 FKBP1A (0.35) ACERENKDM4EF2LMNA
SCHEMBL5570416 0.83 ACE (0.50) ACERENKDM4EF2LMNA
SCHEMBL8301957 0.82 ACE (0.52) ACERENKDM4EF2LMNA
SCHEMBL11546811 0.80 ACE (0.58) ACERENKDM4EF2LMNA
SCHEMBL8300072 0.80 ACE (0.49) ACERENKDM4EF2LMNA
SCHEMBL5569964 0.79 ACE (0.56) ACERENKDM4EF2LMNA
SCHEMBL8303943 0.78 ACE (0.44) ACEF2ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004106300-A1 CAPTOPRIL DERIVATIVES NICOX S.A. (FR) 2004-12-09 WO disclosed