SCHEMBL5967628

SCHEMBL5967628

CC(=O)N[C@@H](CSC(C)=O)C(=O)NCCSC(=O)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.37
▸ TLR2 O60603 2/20 0.36
▸ ZDHHC7 Q9NXF8 1/20 0.35
▸ BCL2A1 Q16548 2/20 0.34
▸ BID P55957 1/20 0.34
▸ MME P08473 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA3 P07451 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA6 P23280 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CACNA1C Q13936 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA13 Q8N1Q1 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33

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
SCHEMBL5967577 0.94 SIRT6 (0.37) SIRT6SIRT1TLR2ZDHHC7BCL2A1
SCHEMBL5967587 0.94 SIRT6 (0.39) SIRT6SIRT1TLR2ZDHHC7BCL2A1
SCHEMBL5967572 0.91 MME (0.33) TLR2ZDHHC7MMEACE
SCHEMBL5967603 0.90 TLR2 (0.39) SIRT6SIRT1TLR2ZDHHC7BCL2A1
SCHEMBL5967638 0.87 TLR2 (0.36) SIRT6SIRT1TLR2ZDHHC7BCL2A1
SCHEMBL5967597 0.86 TLR2 (0.32) TLR2ZDHHC7MME
SCHEMBL5967612 0.84 KDM4E (0.45) SIRT6SIRT1TLR2ZDHHC7BCL2A1
SCHEMBL5967593 0.84 SIRT6 (0.34) SIRT6SIRT1TLR2ZDHHC7BCL2A1
SCHEMBL5967582 0.84 MME (0.35) TLR2MMEALDH1A1TSHRACE
SCHEMBL5967595 0.84 ZDHHC7 (0.32) TLR2ZDHHC7

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
US-6989372-B1 Antioxidants, preparation methods and uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2006-01-24 — — US disclosed
US-6979747-B2 Antioxidants, preparation processes and their uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2005-12-27 — — US disclosed
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