SCHEMBL13664816

SCHEMBL13664816

COC(=O)C(Cc1ccccc1)N(CCCNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
HTT P42858 1/20 0.47
TPSAB1 Q15661 2/20 0.46
TPSD1 Q9BZJ3 2/20 0.46
TPSG1 Q9NRR2 2/20 0.46
FOLH1 Q04609 2/20 0.45
SYK P43405 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TGM2 P21980 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
KEAP1 Q14145 2/20 0.43
NFE2L2 Q16236 2/20 0.43
KLK7 P49862 1/20 0.42
KLK5 Q9Y337 1/20 0.42
BACE1 P56817 1/20 0.42
SLC1A3 P43003 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
SCHEMBL13665312 0.91 MAPT (0.48) MAPTHTTTPSAB1TPSD1TPSG1
SCHEMBL30841401 0.86 SYK (0.48) MAPTSYKLMNASMN1; SMN2POLB
SCHEMBL21460902 0.83 MAPT (0.51) MAPTHTTTPSAB1TPSD1TPSG1
SCHEMBL21460905 0.83 MAPT (0.51) MAPTHTTTPSAB1TPSD1TPSG1
SCHEMBL13664874 0.83 ITGA4 (0.43) POLBKLK5
SCHEMBL30841335 0.81 SYK (0.44) MAPTSYKPOLBMAPK1KLK5
SCHEMBL31187921 0.80 MAPT (0.49) MAPTHTTTPSAB1TPSD1TPSG1
SCHEMBL30306840 0.79 SIRT2 (0.50) MAPTTPSAB1TPSD1TPSG1SYK
SCHEMBL22123600 0.79 HTT (0.53) MAPTHTTTPSAB1TPSD1TPSG1
SCHEMBL9772167 0.78 MAPT (0.56) MAPTHTTTPSAB1TPSD1TPSG1

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-2009119528-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-10-01 WO disclosed