SCHEMBL5967604

SCHEMBL5967604

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ THPO P40225 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ZDHHC7 Q9NXF8 1/20 0.31
▸ FNTA P49354 2/20 0.31
▸ FNTB P49356 2/20 0.31
▸ PGGT1B P53609 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ GFER P55789 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ GSTK1 Q9Y2Q3 1/20 0.31
▸ MEN1 O00255 1/20 0.30

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
SCHEMBL5967612 0.90 KDM4E (0.45) ACEKDM4EMAPTTHRBALOX15
SCHEMBL5967630 0.88 ACE (0.39) ACEKDM4EMAPTTHRBALOX15
SCHEMBL5967595 0.86 ZDHHC7 (0.32) ZDHHC7POLBGFERMEN1KMT2A
SCHEMBL6290868 0.84 ACE (0.36) ACE
SCHEMBL5967572 0.82 MME (0.33) ACEZDHHC7
SCHEMBL5967597 0.79 TLR2 (0.32) ZDHHC7
SCHEMBL5967600 0.79 GPR139 (0.42) ACERECQLSMN1; SMN2FNTAFNTB
SCHEMBL5967623 0.76 — —
SCHEMBL5967587 0.76 SIRT6 (0.39) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL1487648 0.75 KDM4E (0.49) ACEKDM4EMAPTTHRBALOX15

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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