SCHEMBL20041918

SCHEMBL20041918

CCNC(=O)CC[C@@H](N)C(C)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.44
NOD1 Q9Y239 5/20 0.40
ALDH1A1 P00352 1/20 0.39
MCL1 Q07820 1/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
GRM8 O00222 1/20 0.34
GRM6 O15303 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GSR P00390 1/20 0.34
CYP1A2 P05177 1/20 0.34
GRIK1 P39086 1/20 0.34
GRM5 P41594 1/20 0.34
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34

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
SCHEMBL14281125 1.00 FAAH (0.44) FAAHNOD1ALDH1A1MCL1MMP2
Theanine SCHEMBL289255 0.84 NOD1 (0.54) FAAHNOD1MMP2MMP9GRM8
SCHEMBL30543568 0.84 FAAH (0.44) FAAHNOD1ALDH1A1MCL1MMP2
Theanine SCHEMBL4906383 0.84 NOD1 (0.54) FAAHNOD1MMP2MMP9GRM8
SCHEMBL25023424 0.84 NOD1 (0.46) FAAHNOD1ALDH1A1MCL1MMP2
Theanine SCHEMBL23581676 0.84 NOD1 (0.54) FAAHNOD1MMP2MMP9GRM8
Theanine SCHEMBL290430 0.84 NOD1 (0.54) FAAHNOD1MMP2MMP9GRM8
Theanine SCHEMBL31465412 0.84 NOD1 (0.54) FAAHNOD1MMP2MMP9GRM8
SCHEMBL30079013 0.84 FAAH (0.44) FAAHNOD1ALDH1A1MCL1MMP2
SCHEMBL28568200 0.84 FAAH (0.44) FAAHNOD1ALDH1A1MCL1MMP2

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
EP-2657326-B1 Use of metal ion complexing compounds for aroma stabilisation SYMRISE AG (DE) 2018-04-11 EP disclosed