SCHEMBL14201706

SCHEMBL14201706

CN(CCCOCc1ccccc1)c1cccc2c(S(=O)(=O)O)cccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.39
TTR P02766 1/20 0.39
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
TGM2 P21980 4/20 0.37
CYP1A2 P05177 3/20 0.37
CA2 P00918 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LTA4H P09960 1/20 0.36
DUT P33316 1/20 0.36
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36

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
SCHEMBL14228844 0.85 CA2 (0.42) L3MBTL1TTRHTTALDH1A1HDAC6
SCHEMBL5024404 0.79 TTR (0.47) L3MBTL1TTRHTTHDAC6CYP1A2
SCHEMBL5016479 0.79 TTR (0.47) L3MBTL1TTRHTTHDAC6CYP1A2
SCHEMBL5016508 0.78 TTR (0.46) L3MBTL1TTRHTTHDAC6CYP1A2
SCHEMBL17381123 0.76 TTR (0.50) L3MBTL1TTRHTTHDAC6CYP1A2
SCHEMBL25255849 0.75 TGM2 (0.42) L3MBTL1TTRHTTALDH1A1HDAC6
SCHEMBL29892562 0.75 TGM2 (0.42) L3MBTL1TTRHTTALDH1A1HDAC6
SCHEMBL14201710 0.74 NSD2 (0.43) L3MBTL1TTRHTTALDH1A1CYP1A2
SCHEMBL8395506 0.71 TTR (0.42) L3MBTL1TTRHTTLMNAHDAC6
SCHEMBL8060497 0.71 TTR (0.41) L3MBTL1TTRHTTLMNAHDAC6

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
US-7365223-B2 Method for selective targeting of apoptotic cells and small molecule ligands used thereof NST NEUROSURVIVAL TECHNOLOGIES LTD (IL) 2008-04-29 US disclosed