SCHEMBL5182247

SCHEMBL5182247

CC(C)(C)OC(=O)N(C(=O)OCc1ccccc1)[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 2/20 0.67
TPSD1 Q9BZJ3 2/20 0.67
TPSG1 Q9NRR2 2/20 0.67
FOLH1 Q04609 6/20 0.56
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.49
SLC1A3 P43003 1/20 0.47
SLC1A1 P43005 1/20 0.47
SYK P43405 1/20 0.46
KLK7 P49862 1/20 0.45
KLK5 Q9Y337 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TGM2 P21980 1/20 0.45
ABCB1 P08183 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL5981757 0.89 TPSAB1 (0.55) TPSAB1TPSD1TPSG1FOLH1MAPT
SCHEMBL2748058 0.89 TPSAB1 (0.59) TPSAB1TPSD1TPSG1FOLH1MAPT
SCHEMBL18500333 0.88 FOLH1 (0.65) TPSAB1TPSD1TPSG1FOLH1MAPT
SCHEMBL5174128 0.87 SYK (0.55) TPSAB1TPSD1TPSG1FOLH1MAPT
SCHEMBL14561119 0.85 FOLH1 (0.70) TPSAB1TPSD1TPSG1FOLH1MAPT
SCHEMBL28480221 0.85 TPSAB1 (0.52) TPSAB1TPSD1TPSG1FOLH1MAPT
SCHEMBL1021829 0.85 TPSAB1 (0.52) TPSAB1TPSD1TPSG1FOLH1MAPT
SCHEMBL5712142 0.85 TPSAB1 (0.52) TPSAB1TPSD1TPSG1FOLH1MAPT
SCHEMBL3820596 0.84 TPSAB1 (0.53) TPSAB1TPSD1TPSG1FOLH1MAPT
SCHEMBL375887 0.84 TPSAB1 (0.53) TPSAB1TPSD1TPSG1FOLH1MAPT

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
EP-1797110-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AiCuris GmbH & Co. KG (DE) 2007-06-20 EP disclosed
WO-2006034786-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO.KG (DE) 2006-04-06 WO disclosed