SCHEMBL7213859

SCHEMBL7213859

COC(=O)C[C@H](NCCC(C)(C)C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRN P28799 3/20 0.36
SORT1 Q99523 3/20 0.36
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC1A1 P43005 1/20 0.33
TGFBR1 P36897 1/20 0.33
MAPK1 P28482 1/20 0.32
GGT1 P19440 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
SCHEMBL7103783 0.88 CYP2D6 (0.39) GRNSORT1TSHRMEN1GAA
Hydrochloric Acid SCHEMBL7102139 0.87 CYP2D6 (0.38) GRNSORT1MEN1GAAKMT2A
SCHEMBL7097493 0.86 CA1 (0.33) TSHR
SCHEMBL7763255 0.85 MEN1 (0.32) TSHRMEN1GAAKMT2ASLC1A1
SCHEMBL7099887 0.84 GRN (0.39) GRNSORT1
SCHEMBL5335559 0.84 GRN (0.39) GRNSORT1
Hydrochloric Acid SCHEMBL7101089 0.82 GRN (0.38) GRNSORT1
SCHEMBL6156040 0.81 ECE1 (0.41) GRNSORT1MEN1KMT2AGGT1
SCHEMBL7097154 0.76 RRM1 (0.32) GRNSORT1
SCHEMBL11246906 0.76 TSHR (0.39) TSHRMEN1KMT2ATGFBR1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6627431-B1 Hydrolyzing the ester using a lipase from Pseudomonas and esterase from porcine liver; use as artificial sweetener THE NUTRASWEET COMPANY 2003-09-30 US disclosed
WO-2001085977-A2 CHEMOENZYMATIC SYNTHESIS OF NEOTAME THE NUTRASWEET COMPANY (US) 2001-11-15 WO disclosed