Lysine

Lysine

SCHEMBL8039364

CCCC(=O)Nc1ccc(C=O)cc1.COc1ccc(CC(=O)O)cc1.N.NCCCC[C@H](N)C(=O)O

nearest known ligand 0.45

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
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
LTA4H P09960 6/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CNR1 P21554 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
CNR2 P34972 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39

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
Ornithine SCHEMBL7801571 0.97 KDM4E (0.46) KDM4EPOLBSMN1; SMN2LMNAMTNR1A
Lysine SCHEMBL7800420 0.94 LTA4H (0.48) KDM4EPOLBSMN1; SMN2LMNAMTNR1A
Lysine SCHEMBL7800419 0.94 LTA4H (0.48) KDM4EPOLBSMN1; SMN2LMNAMTNR1A
Lysine SCHEMBL7802577 0.92 ENPP2 (0.41) KDM4EPOLBSMN1; SMN2LMNAMTNR1A
Lysine SCHEMBL7802575 0.92 ENPP2 (0.41) KDM4EPOLBSMN1; SMN2LMNAMTNR1A
Ornithine Aketoglutarate SCHEMBL7799956 0.91 LTA4H (0.49) KDM4EPOLBSMN1; SMN2LMNAMTNR1A
Ornithine SCHEMBL7799957 0.91 LTA4H (0.49) KDM4EPOLBSMN1; SMN2LMNAMTNR1A
Lysine SCHEMBL7802695 0.90 LTA4H (0.46) KDM4ESMN1; SMN2LTA4HALDH1A1MAPT
Lysine SCHEMBL7802633 0.90 MEN1 (0.42) KDM4ELTA4HALDH1A1MAPTMEN1
P-Anisic Acid SCHEMBL7792587 0.90 LTA4H (0.43) KDM4EPOLBMTNR1AMTNR1BLTA4H

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