SCHEMBL4461437

SCHEMBL4461437

COC(=O)N[C@H](CSN=O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.37
FOLH1 Q04609 7/20 0.36
PPARA Q07869 8/20 0.35
PPARG P37231 6/20 0.35
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
PPARD Q03181 2/20 0.34
RIMKLA Q8IXN7 1/20 0.32
NAALAD2 Q9Y3Q0 1/20 0.32
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

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
SCHEMBL4462156 1.00 TGFBR1 (0.37) TGFBR1FOLH1PPARAPPARGITGB1
SCHEMBL221191 0.81 MAPT (0.52) TGFBR1FOLH1RIMKLANAALAD2KDM4E
SCHEMBL221192 0.81 MAPT (0.52) TGFBR1FOLH1RIMKLANAALAD2KDM4E
SCHEMBL4456772 0.81 MAPT (0.52) TGFBR1FOLH1RIMKLANAALAD2KDM4E
SCHEMBL6134 0.81 TGFBR1 (0.41) TGFBR1FOLH1PPARAPPARGITGB1
SCHEMBL5527994 0.81 TGFBR1 (0.41) TGFBR1FOLH1PPARAPPARGITGB1
SCHEMBL16001107 0.81 ITGB1 (0.48) TGFBR1FOLH1PPARAPPARGITGB1
SCHEMBL4469725 0.79 NOD1 (0.38) TGFBR1FOLH1RIMKLANAALAD2KDM4E
SCHEMBL4457105 0.77 ALDH1A1 (0.35) TGFBR1FOLH1ITGB1ITGA4RIMKLA
SCHEMBL4457104 0.77 ALDH1A1 (0.35) TGFBR1FOLH1ITGB1ITGA4RIMKLA

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
WO-2009151744-A1 S-NITROSOMERCAPTO COMPOUNDS AND RELATED DERIVATIVES GALLEON PHARMACEUTICALS, INC. (US) 2009-12-17 WO claimed
WO-2009151744-A1 S-NITROSOMERCAPTO COMPOUNDS AND RELATED DERIVATIVES GALLEON PHARMACEUTICALS, INC. (US) 2009-12-17 WO disclosed