SCHEMBL2233917

SCHEMBL2233917

CCc1c(CNC(=O)c2cc(O)c(O)c(O)c2)c(CC)c(CNC(=O)c2cc(O)c(O)c(O)c2)c(CC)c1CNC(=O)c1cc(O)c(O)c(O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
LMNA P02545 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
POLB P06746 2/20 0.52
GAA P10253 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
NSD2 O96028 1/20 0.52
ALPL P05186 1/20 0.52
ALPI P09923 1/20 0.52
ALPG P10696 1/20 0.52
APEX1 P27695 1/20 0.52
HTT P42858 1/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
CASP6 P55212 1/20 0.52
TOP1 P11387 3/20 0.44
TOP2A P11388 3/20 0.44
TOP2B Q02880 3/20 0.44

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
SCHEMBL328703 0.80 KDM4E (0.61) KDM4ELMNATDP1POLBGAA
SCHEMBL20206982 0.77 KDM4E (0.57) KDM4ELMNATDP1POLBGAA
SCHEMBL13286830 0.75 KDM4E (0.65) KDM4ELMNATDP1POLBGAA
SCHEMBL2228181 0.75 SELL (0.44) KDM4EPOLBL3MBTL1ALDH1A1MAPT
SCHEMBL15069976 0.74 SMN1; SMN2 (0.62) KDM4ELMNATDP1POLBGAA
SCHEMBL16145027 0.74 KDM4E (0.63) KDM4ELMNATDP1POLBGAA
SCHEMBL20207162 0.72 HDAC2 (0.60) LMNAALDH1A1TOP1TOP2ATOP2B
SCHEMBL16784750 0.72 KDM4E (0.61) KDM4ELMNATDP1POLBGAA
SCHEMBL13286803 0.72 KDM4E (0.61) KDM4ELMNATDP1POLBGAA
SCHEMBL24871936 0.71 KDM4E (0.55) KDM4ELMNATDP1POLBGAA

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-2011085454-A1 GP120 -BINDING BENZENE COMPOUNDS AND SACCHARIDE COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN K.U.LEUVEN R&D (BE) 2011-07-21 WO disclosed