SCHEMBL4703299

SCHEMBL4703299

CN1C(C(=O)O)CCC[C@H]1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 8/20 0.43
REN P00797 3/20 0.43
KDM4E B2RXH2 1/20 0.43
F2 P00734 1/20 0.43
LMNA P02545 1/20 0.43
LTA4H P09960 1/20 0.43
MAPT P10636 1/20 0.43
PEPD P12955 1/20 0.43
ALOX15 P16050 1/20 0.43
PTGS1 P23219 1/20 0.43
HTR2A P28223 1/20 0.43
PTGS2 P35354 1/20 0.43
HRH1 P35367 1/20 0.43
THPO P40225 1/20 0.43
PMP22 Q01453 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL69564 1.00 ACE (0.43) ACERENKDM4EF2LMNA
SCHEMBL4703297 1.00 ACE (0.43) ACERENKDM4EF2LMNA
SCHEMBL3403871 0.89 ACE (0.37) ACERENKDM4EF2LMNA
SCHEMBL3403874 0.89 ACE (0.37) ACERENKDM4EF2LMNA
SCHEMBL27698951 0.89 ACE (0.37) ACERENKDM4EF2LMNA
SCHEMBL5320346 0.86 ACE (0.50) ACERENKDM4EF2LMNA
SCHEMBL21509266 0.81 POLB (0.41) ACERENKDM4EF2LMNA
SCHEMBL21509268 0.81 POLB (0.41) ACERENKDM4EF2LMNA
SCHEMBL1449915 0.81 CYP1A2 (0.42) LTA4HRAB9AALDH1A1
SCHEMBL13991699 0.80 ATM (0.36) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3331890-B1 PROTECTED ORGANOBORONIC ACIDS WITH TUNABLE REACTIVITY, AND METHODS OF USE THEREOF UNIV ILLINOIS (US) 2021-11-24 EP disclosed
WO-2017027435-A1 PROTECTED ORGANOBORONIC ACIDS WITH TUNABLE REACTIVITY, AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-02-16 WO disclosed
EP-1963323-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2008-09-03 EP disclosed
WO-2007065892-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2007-06-14 WO disclosed