SCHEMBL18154447

SCHEMBL18154447

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.47
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CTSS P25774 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
PPARA Q07869 1/20 0.42
KLK7 P49862 1/20 0.42
KLK5 Q9Y337 1/20 0.42
IDO1 P14902 1/20 0.41
AKT1 P31749 2/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL7679208 0.82 SYK (0.47) SYKALDH1A1MAPK1L3MBTL1MEN1
SCHEMBL560931 0.82 ALDH1A1 (0.47) SYKALDH1A1MAPK1L3MBTL1MEN1
SCHEMBL560930 0.82 ALDH1A1 (0.47) SYKALDH1A1MAPK1L3MBTL1MEN1
SCHEMBL2024317 0.81 CA12 (0.48) SYKALDH1A1MAPK1CTSSCA12
SCHEMBL8278320 0.81 CA12 (0.48) SYKALDH1A1MAPK1CTSSCA12
SCHEMBL16798515 0.80 MAPT (0.52) SYKL3MBTL1CTSSKLK7KLK5
SCHEMBL1152778 0.80 CTSS (0.49) SYKALDH1A1MAPK1L3MBTL1MEN1
SCHEMBL1152783 0.80 CTSS (0.49) SYKALDH1A1MAPK1L3MBTL1MEN1
SCHEMBL1153755 0.80 CTSS (0.49) SYKALDH1A1MAPK1L3MBTL1MEN1
SCHEMBL560838 0.79 ALDH1A1 (0.51) SYKALDH1A1MAPK1L3MBTL1MEN1

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-2016140878-A9 PRODRUGS RILUZOLE AND THEIR METHOD OF USE BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2016-10-20 WO disclosed