SCHEMBL8049858

SCHEMBL8049858

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.36
ACE P12821 1/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
LTA4H P09960 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
FAAH O00519 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL15088189 0.78 MME (0.37) MMEACECPA1ACE2LTA4H
SCHEMBL17040289 0.75 SMN1; SMN2 (0.35) MMEACECPA1ACE2LTA4H
SCHEMBL9437064 0.74 TDP1 (0.33) ACETSHRKDM4E
SCHEMBL12205309 0.71 NOS3 (0.42) SMN1; SMN2ALDH1A1MAPTFAAHNOS3
SCHEMBL1348932 0.71 MVD (0.32) ACETSHRKDM4E
SCHEMBL14424094 0.69 MVD (0.31) ACE
Water SCHEMBL27985983 0.69 MVD (0.31) ACE
SCHEMBL14558869 0.69 MVD (0.31) ACE
Fosfocreatine SCHEMBL9319921 0.69 MVD (0.41) ACEMEN1TSHRKMT2A
Fosfocreatine SCHEMBL65424 0.69 MVD (0.41) ACEMEN1TSHRKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699667-B1 Amino acid derivatives of creatinine as seasoning material AJINOMOTO KK (JP) 2000-12-20 EP disclosed
US-6083549-A IMPROVING TASTE OF SWEETENERS OR FOODS AJINOMOTO CO., INC. (JP) 2000-07-04 US disclosed
US-5932267-A CARBOXY DERIVATIVES OF AMINOIMIDAZOLINES, IMPARTING A THICK, SOUR TASTE TO FOODS AJINOMOTO CO., INC. (JP) 1999-08-03 US disclosed
US-5688546-A AMINO ACID DERIVATIVES AJINOMOTO CO., INC. (JP) 1997-11-18 US disclosed
EP-0699667-A1 Amino acid derivatives of creatine as seasoning material Ajinomoto Co., Ltd. (JP) 1996-03-06 EP disclosed