Lysine

Lysine

SCHEMBL5606291

CC(C)C[C@@H](C(=O)O)N1C(=O)CCCCCCCCC1=O.NCCCC[C@H](N)C(=O)O

nearest known ligand 0.48

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
GSR P00390 1/20 0.48
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
SLC7A5 Q01650 1/20 0.36
ERAP2 Q6P179 1/20 0.35
ERAP1 Q9NZ08 1/20 0.35
LNPEP Q9UIQ6 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
DPP9 Q86TI2 2/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
NOS3 P29474 3/20 0.33
NOS1 P29475 3/20 0.33
NOS2 P35228 3/20 0.33
MEN1 O00255 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.33
SLC1A3 P43003 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
SCHEMBL6794551 0.82 ALDH1A1 (0.42) GSRALDH1A1PKMDPP9DPP8
SCHEMBL5705701 0.82 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1PKMMCL1
SCHEMBL195776 0.80 ALDH1A1 (0.43) GSRALDH1A1PKMDPP9DPP8
SCHEMBL542270 0.79 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1PKMMCL1
SCHEMBL1696964 0.78 ALDH1A1 (0.46) GSRALDH1A1PKMDPP9DPP8
Lysine SCHEMBL9752090 0.76 GSR (0.67) GSRTHRBDPP9DPP8DPP7
SCHEMBL15623808 0.76 ALDH1A1 (0.53) SMN1; SMN2SLC7A5ALDH1A1PKMMCL1
SCHEMBL28490356 0.74 ALDH1A1 (0.49) GSRALDH1A1PKMDPP9DPP8
SCHEMBL1696971 0.74 ALDH1A1 (0.49) GSRALDH1A1PKMDPP9DPP8
Lysine SCHEMBL1258691 0.74 GSR (0.74) GSRTHRBSLC7A5NOS3NOS1

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
EP-1828281-A2 POLYMERS CONTAINING POLY(ESTER AMIDES) AND AGENTS FOR USE WITH MEDICAL ARTICLES AND METHODS OF FABRICATING THE SAME ADVANCED CARDIOVASCULAR SYSTEMS, INC. (US) 2007-09-05 EP disclosed
WO-2005118681-A2 POLYMERS CONTAINING POLY(ESTER AMIDES) AND AGENTS FOR USE WITH MEDICAL ARTICLES AND METHODS OF FABRICATING THE SAME ADVANCED CARDIOVASCULAR SYSTEMS, INC. (US) 2005-12-15 WO disclosed