SCHEMBL14600112

SCHEMBL14600112

C[C@H](CSC(=O)CNC(=O)OCO[N+](=O)[O-])C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 11/20 0.44
REN P00797 4/20 0.44
ACE2 Q9BYF1 2/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
F2 P00734 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
RAB9A P51151 1/20 0.39

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
SCHEMBL14600107 0.92 ACE (0.43) ACERENACE2LMNAKDM4E
SCHEMBL14600111 0.92 ACE (0.43) ACERENACE2LMNAKDM4E
SCHEMBL5570455 0.85 ACE (0.50) ACERENACE2LMNAKDM4E
SCHEMBL14600108 0.85 ACE (0.44) ACERENACE2LMNAKDM4E
SCHEMBL14600109 0.85 ACE (0.44) ACERENACE2LMNAKDM4E
SCHEMBL14600081 0.85 REN (0.46) ACERENACE2LMNAKDM4E
SCHEMBL14600082 0.84 REN (0.45) ACERENACE2LMNAKDM4E
SCHEMBL8299268 0.83 ACE (0.47) ACERENACE2LMNAKDM4E
SCHEMBL3533719 0.81 ACE (0.52) ACERENACE2LMNAKDM4E
SCHEMBL14600061 0.81 ACE (0.51) ACERENACE2LMNAKDM4E

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
US-7169805-B2 Captopril derivatives NICOX S.A. (FR) 2007-01-30 US disclosed