SCHEMBL27698951

SCHEMBL27698951

CN1[C@@H](C(=O)O)CC[C@H]1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.37
REN P00797 3/20 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
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL3403871 1.00 ACE (0.37) ACERENKDM4EF2LMNA
SCHEMBL3403874 1.00 ACE (0.37) ACERENKDM4EF2LMNA
SCHEMBL13991699 0.90 ATM (0.36) ACERENKDM4EF2LMNA
SCHEMBL69564 0.89 ACE (0.43) ACERENKDM4EF2LMNA
SCHEMBL4703297 0.89 ACE (0.43) ACERENKDM4EF2LMNA
SCHEMBL4703299 0.89 ACE (0.43) ACERENKDM4EF2LMNA
SCHEMBL20356768 0.87 ACE (0.38) ACERENKDM4EF2LMNA
SCHEMBL6262552 0.87 ACE (0.38) ACERENKDM4EF2LMNA
SCHEMBL2084479 0.85 ACE (0.37) ACERENKDM4EF2LMNA
SCHEMBL2084481 0.85 ACE (0.37) 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
CN-101044144-A Novel diazabicyclic aryl derivatives as cholinergy ligands NEUROSEARCH AS (DK) 2007-09-26 CN disclosed