SCHEMBL4751276

SCHEMBL4751276

CN(c1cc(C(=O)O)cc(C(=O)OC(C)(C)C)c1)S(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RAB9A P51151 3/20 0.36
HTT P42858 2/20 0.36
MAPK1 P28482 1/20 0.36
BACE1 P56817 5/20 0.36
NPC1 O15118 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LCK P06239 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
SCHEMBL4748770 0.89 L3MBTL1 (0.48) CA12CA1CA2CA9CA14
SCHEMBL475723 0.84 LCK (0.45) MEN1ALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL16223742 0.84 KMT2A (0.38) CA12CA1CA2CA9CA14
SCHEMBL165562 0.84 KDM4E (0.51) CA12CA1CA2CA9CA14
SCHEMBL6577887 0.81 TPMT (0.43) CA12CA1CA2CA9CA14
SCHEMBL3403399 0.81 TPMT (0.43) CA12CA1CA2CA9CA14
SCHEMBL7864565 0.79 LCK (0.40) MEN1ALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL21015932 0.77 SLC7A5 (0.40) CA12CA1CA2CA9CA14
SCHEMBL475760 0.77 KDM4E (0.56) CA12CA1CA2CA9CA14
SCHEMBL8324208 0.75 MAPT (0.54) MEN1ALDH1A1KMT2ALMNATSHR

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
WO-2008135488-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2008-11-13 WO disclosed
WO-2008135488-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2008-11-13 WO disclosed