SCHEMBL14600166

SCHEMBL14600166

C[C@H](CSC(=O)OCCCO[N+](=O)[O-])C(=O)N1CCC[C@H]1C(=O)OCCCCO[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.39
REN P00797 4/20 0.39
KDM4E B2RXH2 1/20 0.39
F2 P00734 1/20 0.39
LMNA P02545 1/20 0.39
LTA4H P09960 1/20 0.39
MAPT P10636 1/20 0.39
PEPD P12955 1/20 0.39
ALOX15 P16050 1/20 0.39
PTGS1 P23219 1/20 0.39
HTR2A P28223 1/20 0.39
PTGS2 P35354 1/20 0.39
HRH1 P35367 1/20 0.39
THPO P40225 1/20 0.39
PMP22 Q01453 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
FKBP1A P62942 5/20 0.37

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
SCHEMBL14600167 1.00 ACE (0.39) ACERENKDM4EF2LMNA
SCHEMBL14600162 0.99 ACE (0.40) ACERENKDM4EF2LMNA
SCHEMBL14600163 0.99 ACE (0.40) ACERENKDM4EF2LMNA
SCHEMBL14600175 0.94 ACE (0.38) ACERENKDM4EF2LMNA
SCHEMBL14600179 0.94 ACE (0.38) ACERENKDM4EF2LMNA
SCHEMBL14600067 0.92 ACE (0.48) ACERENKDM4EF2LMNA
SCHEMBL5570183 0.92 ACE (0.48) ACERENKDM4EF2LMNA
SCHEMBL14600168 0.91 ACE (0.40) ACERENKDM4EF2LMNA
SCHEMBL14600171 0.91 ACE (0.40) ACERENKDM4EF2LMNA
SCHEMBL14600198 0.90 ACE (0.39) ACERENKDM4EF2LMNA

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