SCHEMBL6869880

SCHEMBL6869880

NC(=O)[C@H](CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCC(O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 1/20 0.49
MMP12 P39900 4/20 0.44
MMP2 P08253 3/20 0.44
MMP8 P22894 3/20 0.44
SIRT5 Q9NXA8 2/20 0.42
HPGDS O60760 1/20 0.42
MMP13 P45452 2/20 0.42
BMP1 P13497 3/20 0.41
FOLH1 Q04609 2/20 0.41
RIMKLA Q8IXN7 1/20 0.41
NAALAD2 Q9Y3Q0 1/20 0.41
GNPAT O15228 1/20 0.40
GLO1 Q04760 1/20 0.39
MMP3 P08254 1/20 0.38
MMP10 P09238 1/20 0.38
MMP9 P14780 1/20 0.38
PTGS1 P23219 1/20 0.38
GSTK1 Q9Y2Q3 1/20 0.38
PTPN1 P18031 1/20 0.37
KEAP1 Q14145 1/20 0.37

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
SCHEMBL19111957 0.83 NOD1 (0.46) NOD1MMP12MMP2MMP8SIRT5
SCHEMBL24024002 0.83 MMP12 (0.48) NOD1MMP12MMP2MMP8HPGDS
SCHEMBL11978793 0.83 MMP12 (0.48) NOD1MMP12MMP2MMP8HPGDS
SCHEMBL13908025 0.81 NOD1 (0.49) NOD1MMP12MMP2MMP8HPGDS
SCHEMBL19724151 0.81 NOD1 (0.49) NOD1MMP12MMP2MMP8HPGDS
SCHEMBL21243004 0.81 SIRT5 (0.45) NOD1MMP12MMP2MMP8SIRT5
SCHEMBL19033489 0.81 NOD1 (0.44) NOD1MMP12MMP2MMP8SIRT5
SCHEMBL14753916 0.80 SIRT5 (0.47) NOD1SIRT5HPGDSBMP1FOLH1
SCHEMBL17793208 0.80 DPP4 (0.53) NOD1SIRT5HPGDSBMP1FOLH1
SCHEMBL17951006 0.80 SIRT5 (0.60) NOD1SIRT5HPGDSBMP1FOLH1

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-2011023864-A1 PSEUDODIPEPTIDES AS MMP INHIBITORS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2011-03-03 WO disclosed