Lysine

Lysine

SCHEMBL29066022

C[N+](C)(C)CCO.NCCCCC(N)C(=O)O.OCC(O)CO.[Cl-]

nearest known ligand 0.56

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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 0.56
▸ ARG2 P78540 4/20 0.37
▸ ARG1 P05089 3/20 0.37
▸ NOS2 P35228 5/20 0.37
▸ NOS1 P29475 4/20 0.37
▸ NOS3 P29474 3/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ PSMD14 O00487 1/20 0.36
▸ PLA2G1B P04054 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ RAD52 P43351 1/20 0.36
▸ ATG4B Q9Y4P1 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ SLC5A7 Q9GZV3 1/20 0.36
▸ RNPEP Q9H4A4 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KMT2A Q03164 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 SCHEMBL28275584 0.93 GSR (0.65) GSRARG2ARG1NOS2NOS1
Lysine SCHEMBL3312740 0.91 GSR (0.62) GSRARG2ARG1NOS2NOS1
Lysine SCHEMBL3312731 0.91 GSR (0.62) GSRARG2ARG1NOS2NOS1
Lysine SCHEMBL7113294 0.91 GSR (0.67) GSRARG2ARG1NOS2NOS1
Lysine SCHEMBL20530995 0.91 GSR (0.67) GSRARG2ARG1NOS2NOS1
Lysine SCHEMBL7113285 0.91 GSR (0.67) GSRARG2ARG1NOS2NOS1
Ornithine Aketoglutarate SCHEMBL29232510 0.87 GSR (0.58) GSRARG2ARG1NOS2NOS1
Lysine SCHEMBL11327123 0.85 GSR (0.77) GSRARG2ARG1NOS2NOS1
Lysine SCHEMBL28944838 0.85 GSR (0.77) GSRARG2ARG1NOS2NOS1
Lysine SCHEMBL28033142 0.85 GSR (0.77) GSRARG2ARG1NOS2NOS1

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-116535300-A Method for catalyzing 5-chloro-2-pentanone to generate cyclopropyl methyl ketone by eutectic solvent 中国科学院山西煤炭化学研究所 2023-08-04 — — CN disclosed
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