SCHEMBL27449334

SCHEMBL27449334

CC(C)(C)OC(=O)CNCCC(=O)NCCC(=O)ONS(=O)(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
CA2 P00918 4/20 0.38
CA9 Q16790 1/20 0.38
PTPRC P08575 2/20 0.37
CA1 P00915 3/20 0.36
EPHX2 P34913 1/20 0.36
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP12 P39900 1/20 0.35
MMP14 P50281 1/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
F2 P00734 3/20 0.35
TMPRSS6 Q8IU80 2/20 0.35

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
SCHEMBL27448413 0.88 CA1 (0.47) L3MBTL1CA2CA9CA1MAPT
SCHEMBL27464975 0.84 IDO1 (0.46) CA2CA9CA1MAPT
SCHEMBL27450344 0.78 USP2 (0.41) PTPRCMAPT
SCHEMBL27449831 0.78 TGFBR1 (0.51)
SCHEMBL7754751 0.77 MMP2 (0.42) MMP2MMP9MMP8MMP12MMP14
SCHEMBL7652696 0.76 ALDH1A1 (0.42) CA2CA9CA1EPHX2MMP2
SCHEMBL27388934 0.75 CA2 (0.41) L3MBTL1CA2CA9PTPRCCA1
SCHEMBL28588397 0.73 ALDH1A1 (0.51) PTPRCCA1MMP2MMP9MMP8
SCHEMBL7434663 0.72 ALDH1A1 (0.42) PTPRCMAPT
SCHEMBL27461965 0.72 SYK (0.41) L3MBTL1CA2CA9CA1

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
CN-1138322-A 2,3-diaminopropionic acid derivative SUMITOMO PHARMA (JP) 1996-12-18 CN disclosed