SCHEMBL2229530

SCHEMBL2229530

CCNC(NC(=O)c1ccc(O)c(O)c1O)c1c(CC)c(C(NCC)NC(=O)c2ccc(O)c(O)c2O)c(CC)c(C(NCC)NC(=O)c2ccc(O)c(O)c2O)c1CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.38
SELP P16109 1/20 0.38
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 4/20 0.36
MAPT P10636 4/20 0.36
HSD17B10 Q99714 3/20 0.36
RECQL P46063 3/20 0.36
ALOX15 P16050 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
PIK3CA P42336 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
ALOX12 P18054 1/20 0.33
HDAC1 Q13547 1/20 0.33
ALOX5 P09917 3/20 0.33
POLB P06746 2/20 0.33

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
SCHEMBL2229568 0.75 SELL (0.38) SELLSELPKDM4EALDH1A1HPGD
SCHEMBL2228181 0.70 SELL (0.44) SELLSELPKDM4EALDH1A1HPGD
SCHEMBL31099235 0.68 SELL (0.50) SELLSELPKDM4EALDH1A1HPGD
SCHEMBL26296693 0.66 SELL (0.56) SELLSELPKDM4EALDH1A1HPGD
SCHEMBL2229534 0.66 SELL (0.40) SELLSELPKDM4EALDH1A1HPGD
SCHEMBL2229548 0.65 ALOX5 (0.44) SELLSELPKDM4EALDH1A1HPGD
SCHEMBL4213430 0.64 ALDH1A1 (0.59) SELLSELPKDM4EALDH1A1HPGD
SCHEMBL29557383 0.64 ALDH1A1 (0.59) SELLSELPKDM4EALDH1A1HPGD
SCHEMBL9313474 0.64 SELL (0.58) SELLSELPKDM4EALDH1A1HPGD
SCHEMBL31099231 0.64 CA2 (0.51) SELLSELPHDAC1

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