SCHEMBL6156040

SCHEMBL6156040

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 3/20 0.41
GRN P28799 2/20 0.37
SORT1 Q99523 2/20 0.37
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
GGT1 P19440 1/20 0.34
CA2 P00918 3/20 0.34
CA1 P00915 2/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
APP P05067 1/20 0.33

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
SCHEMBL7099887 0.85 GRN (0.39) GRNSORT1CA2
SCHEMBL5335559 0.85 GRN (0.39) GRNSORT1CA2
Hydrochloric Acid SCHEMBL7101089 0.84 GRN (0.38) GRNSORT1CA2
SCHEMBL7097602 0.83
SCHEMBL7100430 0.82 ECE1 (0.30) ECE1
SCHEMBL30645307 0.81 ECE1 (0.42) ECE1ITGB2ICAM1ITGALCA2
SCHEMBL30645302 0.81 ECE1 (0.42) ECE1ITGB2ICAM1ITGALCA2
SCHEMBL7213859 0.81 GRN (0.36) GRNSORT1GGT1MEN1KMT2A
SCHEMBL30089038 0.79 ECE1 (0.44) ECE1ITGB2ICAM1ITGALGGT1
SCHEMBL7103783 0.79 CYP2D6 (0.39) GRNSORT1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1284991-B1 SYNTHESIS OF N-[N-(3,3-DIMETHYLBUTYL)-L-ALPHA-ASPARTYL]-L-PHENYLALANINE 1-METHYL ESTER USING OXAZOLIDINONE DERIVATIVES NUTRASWEET CO (US) 2005-02-02 EP claimed
EP-1140795-B1 N-3, 3-DIMETHYLBUTYL-L-ASPARTIC ACID AND ESTERS THEREOF, THE PROCESS OF PREPARING THE SAME, AND THE PROCESS FOR PREPARING N-[N-(3,3-DIMETHYLBUTYL)-L-ALPHA-ASPARTYL)-L-PHENYLALANINE-1-METHYLESTER THEREFROM NUTRASWEET CO (US) 2003-09-03 EP claimed
WO-2024193071-A1 NEOTAME OFF-FLAVOR IMPROVER, ATOMIZED ESSENCE, AND AEROSOL GENERATING APPARATUS 深圳昱朋科技有限公司 2024-09-26 WO disclosed