SCHEMBL2229548

SCHEMBL2229548

CCc1c(CNCCNC(=O)c2ccc(O)c(O)c2O)c(CC)c(CNCCNC(=O)c2ccc(O)c(O)c2O)c(CC)c1CNCCNC(=O)c1ccc(O)c(O)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.44
DNM2 P50570 2/20 0.40
NAAA Q02083 2/20 0.39
SELL P14151 1/20 0.39
SELP P16109 1/20 0.39
KDM4E B2RXH2 2/20 0.37
RECQL P46063 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
HCRTR1 O43613 1/20 0.36
BCL2 P10415 1/20 0.36
MCL1 Q07820 1/20 0.36
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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 0.86 SELL (0.44) ALOX5NAAASELLSELPKDM4E
SCHEMBL2229568 0.73 SELL (0.38) ALOX5SELLSELPKDM4ERECQL
SCHEMBL9143670 0.73 NAAA (0.68) ALOX5NAAAALDH1A1HPGDTSHR
SCHEMBL22505247 0.70 POLB (0.61) ALOX5NAAAKDM4ERECQLALDH1A1
SCHEMBL30211623 0.70 POLB (0.61) ALOX5NAAAKDM4ERECQLALDH1A1
SCHEMBL2229534 0.70 SELL (0.40) ALOX5SELLSELPKDM4ERECQL
SCHEMBL18285037 0.70 ALOX5 (0.60) ALOX5KDM4EALDH1A1MAPTHPGD
SCHEMBL13952095 0.69 ALOX5 (0.82) ALOX5DNM2NAAAALDH1A1MAPT
SCHEMBL25410705 0.68 ALOX5 (0.50) ALOX5DNM2SELLSELP
SCHEMBL26936095 0.68 ALOX5 (0.79) ALOX5DNM2NAAAALDH1A1MAPT

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