SCHEMBL27469665

SCHEMBL27469665

NC(=O)CC(N)C(=O)[C@@](Cc1ccccc1)(NC=O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
TSHR P16473 1/20 0.37
KIF11 P52732 5/20 0.36
ALPI P09923 1/20 0.36
PKM P14618 1/20 0.36
PTGS1 P23219 1/20 0.36
XIAP P98170 1/20 0.36
SLC7A5 Q01650 1/20 0.36
HDAC8 Q9BY41 2/20 0.35
ALDH1A1 P00352 3/20 0.34
RAB9A P51151 1/20 0.34
GRIK1 P39086 1/20 0.34
RECQL P46063 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
PLAU P00749 1/20 0.33
PLAUR Q03405 1/20 0.33
DPP8 Q6V1X1 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
SCHEMBL7032947 0.91 SMN1; SMN2 (0.40) SMN1; SMN2HIF1ATSHRKIF11ALPI
SCHEMBL27431678 0.75 SMN1; SMN2 (0.62) SMN1; SMN2HIF1AKIF11ALPIPKM
Hydrochloric Acid SCHEMBL9191561 0.74 SMN1; SMN2 (0.41) SMN1; SMN2HIF1AKIF11ALPIPKM
SCHEMBL8766415 0.72 TSHR (0.42) TSHRKIF11ALPIPKMPTGS1
SCHEMBL10866034 0.71 PTPN1 (0.52) SMN1; SMN2TSHRALDH1A1RAB9ARECQL
SCHEMBL27583884 0.71 PTPN1 (0.52) SMN1; SMN2TSHRALDH1A1RAB9ARECQL
SCHEMBL10866164 0.70 SMN1; SMN2 (0.46) SMN1; SMN2HIF1ATSHRKIF11ALPI
SCHEMBL27342313 0.70 SMN1; SMN2 (0.46) SMN1; SMN2HIF1ATSHRKIF11ALPI
Hydrochloric Acid SCHEMBL27358212 0.69 SMN1; SMN2 (0.45) SMN1; SMN2HIF1ATSHRKIF11ALPI
SCHEMBL1969122 0.67 KIF11 (0.45) KIF11ALPIPKMPTGS1XIAP

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
CN-1178953-C Synthesis and recovery of aspartame involving enzymatic deformylation step 2004-12-08 CN disclosed
CN-1335851-A Synthesis and recovery of aspartame involving enzymatic deformylation step HOLLAND SWEETENER CO (NL) 2002-02-13 CN disclosed