SCHEMBL8303016

SCHEMBL8303016

CC(N)C(=O)SC[C@@H](C)C(=O)N1CCC[C@H]1C(=O)OCc1ccc(CON(O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 9/20 0.41
ACE P12821 6/20 0.37
REN P00797 2/20 0.37
KDM4E B2RXH2 1/20 0.37
F2 P00734 1/20 0.37
LMNA P02545 1/20 0.37
LTA4H P09960 1/20 0.37
MAPT P10636 1/20 0.37
PEPD P12955 1/20 0.37
ALOX15 P16050 1/20 0.37
PTGS1 P23219 1/20 0.37
HTR2A P28223 1/20 0.37
PTGS2 P35354 1/20 0.37
HRH1 P35367 1/20 0.37
THPO P40225 1/20 0.37
PMP22 Q01453 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ACE2 Q9BYF1 1/20 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
SCHEMBL8299273 0.89 FKBP1A (0.41) FKBP1AACEREN
SCHEMBL14600150 0.86 FKBP1A (0.39) FKBP1AACELMNA
SCHEMBL8304369 0.84 ACE (0.37) FKBP1AACERENKDM4EF2
SCHEMBL11280672 0.77 FKBP1A (0.52) FKBP1AACE
SCHEMBL11470585 0.77 ACE (0.60) ACERENKDM4EF2LMNA
SCHEMBL14600176 0.76 FKBP1A (0.41) FKBP1AACE
SCHEMBL14600155 0.76 FKBP1A (0.39) FKBP1AACEMAPT
SCHEMBL18806512 0.76 FKBP1A (0.61) FKBP1AACE
SCHEMBL10343310 0.76 FKBP1A (0.61) FKBP1AACE
SCHEMBL8299265 0.75 ACE (0.48) 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
WO-2004106300-A1 CAPTOPRIL DERIVATIVES NICOX S.A. (FR) 2004-12-09 WO disclosed