SCHEMBL4459984

SCHEMBL4459984

NCC[C@H](N)C(=O)N[C@H](CS)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.53
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
ALOX15 P16050 1/20 0.48
NFKB1 P19838 1/20 0.48
PTGS2 P35354 1/20 0.48
THPO P40225 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
FOLH1 Q04609 1/20 0.46
PTGS1 P23219 2/20 0.43
GSTK1 Q9Y2Q3 1/20 0.43
DPP7 Q9UHL4 3/20 0.43
DPP8 Q6V1X1 2/20 0.43
DPP9 Q86TI2 2/20 0.43
SLC7A11 Q9UPY5 1/20 0.42
RRM1 P23921 1/20 0.39
CPB2 Q96IY4 1/20 0.39

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
SCHEMBL4457189 1.00 ACE (0.53) ACEKDM4EMAPTTHRBALOX15
SCHEMBL4457183 1.00 ACE (0.53) ACEKDM4EMAPTTHRBALOX15
SCHEMBL28326503 0.88 GSR (0.55) ACEKDM4EMAPTTHRBALOX15
SCHEMBL21828643 0.88 GSR (0.55) ACEKDM4EMAPTTHRBALOX15
SCHEMBL14957758 0.88 GSR (0.55) ACEKDM4EMAPTTHRBALOX15
SCHEMBL29517180 0.88 GSR (0.55) ACEKDM4EMAPTTHRBALOX15
SCHEMBL16770231 0.87 ACE (0.55) ACEKDM4EMAPTTHRBALOX15
SCHEMBL21134741 0.87 ACE (0.55) ACEKDM4EMAPTTHRBALOX15
SCHEMBL29775575 0.87 DPP7 (0.46) FOLH1DPP7DPP8DPP9RRM1
SCHEMBL29601415 0.87 DPP7 (0.46) FOLH1DPP7DPP8DPP9RRM1

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 3 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
WO-2009151744-A1 S-NITROSOMERCAPTO COMPOUNDS AND RELATED DERIVATIVES GALLEON PHARMACEUTICALS, INC. (US) 2009-12-17 WO disclosed