SCHEMBL2228181

SCHEMBL2228181

CCc1c(CNC(=O)c2ccc(O)c(O)c2O)c(CC)c(CNC(=O)c2ccc(O)c(O)c2O)c(CC)c1CNC(=O)c1ccc(O)c(O)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.44
SELP P16109 1/20 0.44
ALOX5 P09917 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
RECQL P46063 3/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HDAC1 Q13547 1/20 0.39
PIK3CA P42336 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALOX12 P18054 1/20 0.38
ALPL P05186 1/20 0.38
NAAA Q02083 1/20 0.37
EP300 Q09472 1/20 0.37
CREBBP Q92793 1/20 0.37
BRD9 Q9H8M2 1/20 0.37

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
SCHEMBL2229548 0.86 ALOX5 (0.44) SELLSELPALOX5KDM4EALDH1A1
SCHEMBL2229568 0.79 SELL (0.38) SELLSELPALOX5KDM4EALDH1A1
SCHEMBL26296693 0.76 SELL (0.56) SELLSELPALOX5KDM4EALDH1A1
SCHEMBL2229534 0.75 SELL (0.40) SELLSELPALOX5KDM4EALDH1A1
SCHEMBL30736511 0.75 KMT2A (0.62) HPGDKMT2ANSD2L3MBTL1BCL2
SCHEMBL2233917 0.75 KDM4E (0.52) SELLSELPKDM4EALDH1A1MAPT
SCHEMBL9143670 0.72 NAAA (0.68) ALOX5ALDH1A1HPGDNAAAL3MBTL1
SCHEMBL17748296 0.72 LMNA (0.47) ALOX5KDM4EMAPTRECQLHDAC1
SCHEMBL31099240 0.72 SELL (0.55) SELLSELPALOX5KDM4EMAPT
SCHEMBL4213430 0.70 ALDH1A1 (0.59) SELLSELPALOX5KDM4EALDH1A1

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