Lysine

Lysine

SCHEMBL8039183

COc1ccc(C=O)cc1F.NC1CCCCC1.NCCCCC(N)C(=O)O

nearest known ligand 0.39

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 0.39
ALDH1A1 P00352 7/20 0.37
HTT P42858 2/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
GRIK1 P39086 1/20 0.37
GRIK2 Q13002 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CYP2C9 P11712 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
AOX1 Q06278 1/20 0.35
CPB2 Q96IY4 1/20 0.35
TUBB1 Q9H4B7 1/20 0.35
CYP1A2 P05177 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 1/20 0.35

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 SCHEMBL8039180 1.00 GSR (0.39) GSRALDH1A1HTTHPGDKMT2A
Isovanillin SCHEMBL8041267 0.90 ALDH1A1 (0.48) GSRALDH1A1HTTHPGDKMT2A
Isovanillin SCHEMBL8041270 0.90 ALDH1A1 (0.48) GSRALDH1A1HTTHPGDKMT2A
Lysine SCHEMBL8041480 0.90 GSR (0.39) GSRALDH1A1HTTHPGDKMT2A
Lysine SCHEMBL8041481 0.90 GSR (0.39) GSRALDH1A1HTTHPGDKMT2A
Cyclohexylamine SCHEMBL7800101 0.86 ALDH1A1 (0.42) ALDH1A1HTTHPGDKMT2AMEN1
Lysine SCHEMBL8037528 0.85 GSR (0.44) GSRALDH1A1KMT2AGRIK1GRIK2
Lysine SCHEMBL8037527 0.85 GSR (0.44) GSRALDH1A1KMT2AGRIK1GRIK2
Cyclohexylamine SCHEMBL7792102 0.83 ALDH1A1 (0.49) ALDH1A1HPGDKMT2AMEN1POLB
Lysine SCHEMBL8041461 0.82 KDM4E (0.40) GSRALDH1A1HTTHPGDKMT2A

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
US-6127381-A A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY LION BIOSCIENCE AG (DE) 2000-10-03 US disclosed