SCHEMBL7724027

SCHEMBL7724027

COc1cccc(C=CC(=O)CC(=O)C=Cc2cccc(OC)c2O)c1O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.82
MAPT P10636 5/20 0.76
APP P05067 3/20 0.76
NFE2L2 Q16236 4/20 0.73
BCHE P06276 1/20 0.61
TLR2 O60603 1/20 0.60
ERN1 O75460 1/20 0.60
TLR1 Q15399 1/20 0.60
TLR6 Q9Y2C9 1/20 0.60
TXNRD1 Q16881 1/20 0.58
TXNRD3 Q86VQ6 1/20 0.58
TXNRD2 Q9NNW7 1/20 0.58
POLB P06746 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.56
NPC1 O15118 1/20 0.56
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.56
RECQL P46063 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL7724020 1.00 BACE1 (0.82) BACE1MAPTAPPNFE2L2BCHE
SCHEMBL3218716 0.90 BACE1 (1.00) BACE1MAPTAPPNFE2L2MEN1
SCHEMBL3218734 0.90 BACE1 (1.00) BACE1MAPTAPPNFE2L2MEN1
SCHEMBL3842254 0.89 BACE1 (0.67) BACE1MAPTAPPNFE2L2BCHE
SCHEMBL3842253 0.89 BACE1 (0.67) BACE1MAPTAPPNFE2L2BCHE
SCHEMBL3218784 0.87 MAPT (0.82) BACE1MAPTAPPNFE2L2TXNRD1
SCHEMBL3216476 0.87 APP (1.00) BACE1MAPTAPPNFE2L2TXNRD1
SCHEMBL3218798 0.87 MAPT (0.82) BACE1MAPTAPPNFE2L2TXNRD1
SCHEMBL3216492 0.87 APP (1.00) BACE1MAPTAPPNFE2L2TXNRD1
SCHEMBL3687134 0.85 KDM4E (0.66) BACE1MAPTAPPNFE2L2BCHE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013054267-A1 SYNERGISTIC COMPOSITION FOR PREVENTING AND TREATING DISORDERS CONNECTED WITH AGEING MEDESTEA BIOTECH S.P.A. (IT) 2013-04-18 WO disclosed
US-6395449-B1 MIXTURE CONTAINING POLYGLUTARIMIDE AND SOLVENT MICROCHEM CORP. 2002-05-28 US disclosed