SCHEMBL4469725

SCHEMBL4469725

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 3/20 0.38
CYP2C9 P11712 1/20 0.37
PIN1 Q13526 1/20 0.36
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
C3AR1 Q16581 1/20 0.33
MME P08473 1/20 0.33
FOLH1 Q04609 3/20 0.32
NAALAD2 Q9Y3Q0 3/20 0.32
RIMKLA Q8IXN7 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
SCHEMBL221191 0.81 MAPT (0.52) FOLH1NAALAD2RIMKLAKDM4EMAPT
SCHEMBL221192 0.81 MAPT (0.52) FOLH1NAALAD2RIMKLAKDM4EMAPT
SCHEMBL4456772 0.81 MAPT (0.52) FOLH1NAALAD2RIMKLAKDM4EMAPT
SCHEMBL4955697 0.81 NOD1 (0.42) NOD1CYP2C9PIN1CA2CA4
SCHEMBL4907662 0.81 ITGB1 (0.45) NOD1CYP2C9PIN1CA2CA4
SCHEMBL4462156 0.79 TGFBR1 (0.37) FOLH1NAALAD2RIMKLAKDM4EMAPT
SCHEMBL4461437 0.79 TGFBR1 (0.37) FOLH1NAALAD2RIMKLAKDM4EMAPT
SCHEMBL4953665 0.78 NOD1 (0.40) NOD1CYP2C9PIN1CA2CA4
SCHEMBL4458207 0.77 ALDH1A1 (0.35) FOLH1NAALAD2RIMKLAKDM4EMAPT
SCHEMBL4457104 0.77 ALDH1A1 (0.35) FOLH1NAALAD2RIMKLAKDM4EMAPT

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