SCHEMBL2229534

SCHEMBL2229534

CCc1c(CN(CC)NC(=O)c2ccc(O)c(O)c2O)c(CC)c(CN(CC)NC(=O)c2ccc(O)c(O)c2O)c(CC)c1CN(CC)NC(=O)c1ccc(O)c(O)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.40
SELP P16109 1/20 0.40
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 4/20 0.38
RECQL P46063 3/20 0.38
HPGD P15428 3/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALOX5 P09917 1/20 0.36
HDAC1 Q13547 1/20 0.35
PIK3CA P42336 3/20 0.35
MEN1 O00255 1/20 0.35
ALOX12 P18054 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
POLB P06746 2/20 0.34
TLR2 O60603 1/20 0.34
NSD2 O96028 1/20 0.34
PKM P14618 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
SCHEMBL2228181 0.75 SELL (0.44) SELLSELPKDM4EALDH1A1MAPT
SCHEMBL2229548 0.70 ALOX5 (0.44) SELLSELPKDM4EALDH1A1MAPT
SCHEMBL2229568 0.69 SELL (0.38) SELLSELPKDM4EALDH1A1MAPT
SCHEMBL26296693 0.68 SELL (0.56) SELLSELPKDM4EALDH1A1MAPT
SCHEMBL5070153 0.67 POLB (0.46) HPGDPOLB
SCHEMBL4213430 0.66 ALDH1A1 (0.59) SELLSELPKDM4EALDH1A1MAPT
SCHEMBL29557383 0.66 ALDH1A1 (0.59) SELLSELPKDM4EALDH1A1MAPT
SCHEMBL9313474 0.66 SELL (0.58) SELLSELPKDM4EALDH1A1MAPT
SCHEMBL2229530 0.66 SELL (0.38) SELLSELPKDM4EALDH1A1MAPT
SCHEMBL15255722 0.65 HSD17B1 (0.43) SELLSELPKDM4EALDH1A1MAPT

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