SCHEMBL13694032

SCHEMBL13694032

CCCC(=O)NCCCC[C@H](NP)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CASP2 P42575 1/20 0.54
▸ NOD1 Q9Y239 3/20 0.47
▸ FOLH1 Q04609 1/20 0.44
▸ NAAA Q02083 1/20 0.44
▸ ALB P02768 2/20 0.43
▸ MMP2 P08253 2/20 0.43
▸ MMP9 P14780 2/20 0.43
▸ MMP8 P22894 2/20 0.43
▸ MMP12 P39900 2/20 0.43
▸ MMP14 P50281 2/20 0.43
▸ GLP1R P43220 8/20 0.42
▸ EPHX2 P34913 1/20 0.41

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
SCHEMBL8171251 0.90 NOD1 (0.60) CASP2NOD1NAAAGLP1REPHX2
SCHEMBL18116882 0.87 MEN1 (0.57) CASP2NOD1FOLH1ALBEPHX2
SCHEMBL23452088 0.86 NOD1 (0.61) CASP2NOD1FOLH1ALBGLP1R
SCHEMBL13057100 0.86 NOD1 (0.61) CASP2NOD1FOLH1ALBGLP1R
SCHEMBL19401719 0.84 CASP2 (0.54) CASP2NOD1FOLH1NAAAALB
SCHEMBL32679724 0.84 NOD1 (0.60) CASP2NOD1FOLH1ALBGLP1R
SCHEMBL22449512 0.84 CASP2 (0.54) CASP2NOD1FOLH1NAAAALB
SCHEMBL14586421 0.84 CASP2 (0.54) CASP2NOD1FOLH1NAAAALB
SCHEMBL13694015 0.84 NOD1 (0.47) CASP2NOD1FOLH1ALBGLP1R
SCHEMBL12674095 0.83 EPHX2 (0.48) NOD1FOLH1ALBGLP1REPHX2

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
WO-2009115469-A1 PROTEASE STABILIZED, ACYLATED INSULIN ANALOGUES NOVO NORDISK A/S (DK) 2009-09-24 — — WO disclosed
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