Lysine

Lysine

SCHEMBL28133256

NC(=O)CCc1ccccc1.NCCCCC(N)C(=O)O

nearest known ligand 0.58

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 0.46
▸ GSR P00390 1/20 0.57
▸ CPB2 Q96IY4 3/20 0.54
▸ GRIK1 P39086 1/20 0.50
▸ MMP2 P08253 1/20 0.50
▸ F2 P00734 2/20 0.47
▸ ALPI P09923 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ XIAP P98170 1/20 0.46
▸ SLC7A5 Q01650 1/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ PMP22 Q01453 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ LTA4H P09960 2/20 0.45
▸ DPP8 Q6V1X1 1/20 0.45
▸ DPP9 Q86TI2 1/20 0.45

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
Homophenylalanine SCHEMBL27675878 0.88 GSR (0.65) GSRCPB2GRIK1MMP2ALPI
Homophenylalanine SCHEMBL14331297 0.88 GSR (0.65) GSRCPB2GRIK1MMP2ALPI
Lysine SCHEMBL11276606 0.85 THRB (0.58) GSRCPB2MMP2PTGS1KMT2A
SCHEMBL15929734 0.84 MMP2 (0.57) GSRCPB2GRIK1MMP2F2
Lysine SCHEMBL3907035 0.83 GSR (0.67) GSRCPB2GRIK1MMP2ALPI
Lysine SCHEMBL28801083 0.83 GSR (0.67) GSRCPB2GRIK1MMP2ALPI
D-Phenylalanine SCHEMBL8215749 0.82 SLC7A5 (0.71) GSRCPB2MMP2ALPIPKM
Dl-Phenylalanine SCHEMBL20740843 0.82 SLC7A5 (0.71) GSRCPB2MMP2ALPIPKM
Phenylalanine SCHEMBL21314200 0.82 SLC7A5 (0.71) GSRCPB2MMP2ALPIPKM
Dl-Phenylalanine SCHEMBL20740839 0.82 SLC7A5 (0.71) GSRCPB2MMP2ALPIPKM

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-106466485-A A kind of targeting ligand-drug coupling body with cell endocytic mediation function 同宜医药开曼有限公司 2017-03-01 — — CN claimed
CN-106466484-A A kind of many targeting ligand-drug coupling body with cell endocytic mediation function 同宜医药开曼有限公司 2017-03-01 — — CN claimed
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