SCHEMBL27502709

SCHEMBL27502709

CC(C)(C)C(NC(=O)C(N)CS)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.47
▸ SLC7A11 Q9UPY5 1/20 0.47
▸ MMP1 P03956 7/20 0.40
▸ MMP3 P08254 7/20 0.39
▸ MMP9 P14780 6/20 0.39
▸ CA2 P00918 1/20 0.38
▸ ACE P12821 1/20 0.37
▸ FNTA P49354 2/20 0.36
▸ FNTB P49356 2/20 0.36
▸ PGGT1B P53609 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ THPO P40225 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL29666118 0.88 PTGS1 (0.45) PTGS1SLC7A11MMP1ACEFNTA
SCHEMBL30811198 0.82 MMP1 (0.44) PTGS1SLC7A11MMP1MMP3MMP9
SCHEMBL27501940 0.81 SLC7A5 (0.52) MMP1MMP3MMP9MMP2
SCHEMBL7049300 0.81 SLC7A5 (0.52) MMP1MMP3MMP9MMP2
SCHEMBL30853669 0.77 DPP4 (0.52) PTGS1MMP1MMP3MMP9CA2
SCHEMBL29360299 0.77 DPP4 (0.45) PTGS1MMP1MMP3MMP9CA2
SCHEMBL6791478 0.76 MME (0.51) PTGS1SLC7A11ACEFNTAFNTB
SCHEMBL30128682 0.76 MME (0.51) PTGS1SLC7A11ACEFNTAFNTB
SCHEMBL6791475 0.76 MME (0.51) PTGS1SLC7A11ACEFNTAFNTB
SCHEMBL11325497 0.76 PTGS1 (0.52) PTGS1SLC7A11ACEFNTAFNTB

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-1193978-A Peptidyl compounds and their therapeutic use as inhibitors of metalloproteases CHIROSCIENCE LTD (GB) 1998-09-23 — — CN disclosed
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