SCHEMBL8303006

SCHEMBL8303006

CC(NC(=O)CCCON(O)O)C(=O)SC[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.46
ACE P12821 10/20 0.46
ACE2 Q9BYF1 2/20 0.44
KDM4E B2RXH2 1/20 0.44
F2 P00734 1/20 0.44
LMNA P02545 1/20 0.44
LTA4H P09960 1/20 0.44
MAPT P10636 1/20 0.44
PEPD P12955 1/20 0.44
ALOX15 P16050 1/20 0.44
PTGS1 P23219 1/20 0.44
HTR2A P28223 1/20 0.44
PTGS2 P35354 1/20 0.44
HRH1 P35367 1/20 0.44
THPO P40225 1/20 0.44
PMP22 Q01453 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL8301860 0.97 REN (0.45) RENACEACE2KDM4EF2
SCHEMBL8301629 0.88 FKBP1A (0.37) RENACEACE2KDM4EF2
SCHEMBL8303008 0.88 ACE (0.47) RENACEACE2KDM4EF2
SCHEMBL8299267 0.88 ACE (0.47) RENACEACE2KDM4EF2
SCHEMBL8299266 0.88 FKBP1A (0.36) RENACEACE2KDM4EF2
SCHEMBL8300085 0.86 ACE (0.53) RENACEACE2KDM4EF2
SCHEMBL14600080 0.86 REN (0.45) RENACEACE2KDM4EF2
SCHEMBL5569928 0.86 REN (0.45) RENACEACE2KDM4EF2
SCHEMBL14600078 0.84 REN (0.44) RENACEACE2KDM4EF2
SCHEMBL8302027 0.83 ACE (0.52) RENACEACE2KDM4EF2

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