Lysine

Lysine

SCHEMBL11276606

CC(C)Cc1ccc(CCC(N)=O)cc1.NCCCC[C@H](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 4/20 0.41
▸ PTGS2 known ✓ P35354 4/20 0.41
▸ THRB P10828 1/20 0.58
▸ GSR P00390 1/20 0.50
▸ ITGB3 P05106 1/20 0.45
▸ ITGA2B P08514 1/20 0.45
▸ CPB2 Q96IY4 2/20 0.44
▸ MMP2 P08253 1/20 0.43
▸ LMNA P02545 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ AKR1C3 P42330 2/20 0.41
▸ CXCR1 P25024 2/20 0.41
▸ CXCR2 P25025 2/20 0.41
▸ BLM P54132 2/20 0.41
▸ PMP22 Q01453 2/20 0.41
▸ ALOX5 P09917 2/20 0.41
▸ ALB P02768 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ RARB P10826 1/20 0.41
▸ ADRB3 P13945 1/20 0.41

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 SCHEMBL9346943 0.92 THRB (0.60) THRBGSRITGB3ITGA2BCPB2
Lysine SCHEMBL28133256 0.85 GSR (0.57) GSRCPB2MMP2PTGS1BLM
Lysine SCHEMBL11276603 0.82 THRB (0.71) THRBGSRITGB3ITGA2BMMP2
(R)-Ibuprophen SCHEMBL8579043 0.82 THRB (0.73) THRBGSRITGB3ITGA2BMMP2
Dexibuprofen SCHEMBL8733957 0.82 THRB (0.73) THRBGSRITGB3ITGA2BMMP2
Ibuprofen SCHEMBL44617 0.82 THRB (0.73) THRBGSRITGB3ITGA2BMMP2
Dexibuprofen SCHEMBL875767 0.82 THRB (0.73) THRBGSRITGB3ITGA2BMMP2
Ibuprofen SCHEMBL44616 0.82 THRB (0.73) THRBGSRITGB3ITGA2BMMP2
(R)-Ibuprophen SCHEMBL29696062 0.82 THRB (0.73) THRBGSRITGB3ITGA2BMMP2
Dexibuprofen SCHEMBL379398 0.81 THRB (0.72) THRBGSRITGB3ITGA2BMMP2

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-4341798-A ANTIINFLAMMATORY AGENT LABORATORI PROPHIN S.P.A. (IT) 1982-07-27 — — US claimed
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