SCHEMBL8007716

SCHEMBL8007716

CC(C)(C)OC(=O)CN(CCNCC(CC(=O)OCc1ccccc1)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.40
KLK7 P49862 1/20 0.38
KLK5 Q9Y337 1/20 0.38
ABCB1 P08183 1/20 0.36
ATM Q13315 1/20 0.35
SLC15A1 P46059 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
MAPT P10636 1/20 0.35
AKT1 P31749 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CCR6 P51684 1/20 0.34
PAX8 Q06710 1/20 0.34
MMP9 P14780 1/20 0.34

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
SCHEMBL8007712 0.87 KLK7 (0.37) SYKKLK7KLK5ABCB1SLC15A1
SCHEMBL7737502 0.78 CA1 (0.51) SYKALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL5557245 0.78 CA1 (0.51) SYKALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL18429584 0.78 SYK (0.50) SYKALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL6840857 0.77 SMN1; SMN2 (0.52) SYKL3MBTL1MAPTAKT1SMN1; SMN2
SCHEMBL418232 0.76 ALDH1A1 (0.51) SYKALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL7156418 0.75 SMN1; SMN2 (0.52) SYKL3MBTL1MAPTAKT1SMN1; SMN2
SCHEMBL14768484 0.75 ALDH1A1 (0.43) SYKKLK7KLK5ABCB1SLC15A1
SCHEMBL14439276 0.75 SYK (0.39) SYKALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL8046788 0.75 SYK (0.39) SYKALDH1A1MAPK1L3MBTL1TDP1

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-2000058269-A1 DTPA ESTERS WITH ORTHOGONAL REMOVABLE PROTECTING GROUPS MALLINCKRODT INC. (US) 2000-10-05 WO disclosed