Lysine

Lysine

SCHEMBL28268261

NCCCCC(N)C(=O)O.O=C(O)Cc1ccccc1.S

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PPARDPTGS1PTGS2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Lysine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 known ✓ P23219 1/20 0.49
GSR P00390 1/20 0.61
MMP2 P08253 1/20 0.52
AKR1B1 P15121 1/20 0.52
ALPI P09923 1/20 0.49
PKM P14618 1/20 0.49
XIAP P98170 1/20 0.49
SLC7A5 Q01650 1/20 0.49
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LTA4H P09960 1/20 0.47
DPP8 Q6V1X1 1/20 0.47
DPP9 Q86TI2 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
GRIK1 P39086 1/20 0.46
CPB2 Q96IY4 2/20 0.44
KIF11 P52732 3/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43

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
Lysine SCHEMBL28231846 0.98 GSR (0.62) GSRMMP2AKR1B1ALPIPKM
Phenylacetic Acid SCHEMBL1702338 0.94 AKR1B1 (0.55) GSRMMP2AKR1B1ALPIPKM
Phenylacetic Acid SCHEMBL16975021 0.94 AKR1B1 (0.55) GSRMMP2AKR1B1ALPIPKM
Felbinac SCHEMBL29711520 0.90 ABCC4 (0.58) GSRMMP2AKR1B1PTGS1POLB
Felbinac SCHEMBL1231150 0.90 ABCC4 (0.58) GSRMMP2AKR1B1PTGS1POLB
Lysine SCHEMBL28801083 0.86 GSR (0.67) GSRMMP2ALPIPKMPTGS1
Lysine SCHEMBL3907035 0.86 GSR (0.67) GSRMMP2ALPIPKMPTGS1
Lysine SCHEMBL457898 0.85 GSR (0.57) GSRMMP2ALPIPKMPTGS1
Dl-Phenylalanine SCHEMBL237820 0.84 SLC7A5 (0.71) GSRMMP2ALPIPKMPTGS1
Phenylalanine SCHEMBL21314200 0.84 SLC7A5 (0.71) GSRMMP2ALPIPKMPTGS1

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
CN-106046025-B Medicinal Cefsulodin sodium compound and preparation method thereof 浙江尖峰药业有限公司 2019-01-08 CN disclosed