SCHEMBL7093072

SCHEMBL7093072

COc1cc(CN(CCN(CC(=O)OC(OC(C)=O)OC(C)=O)Cc2cc(OC)c(OC)c(OC)c2)CC(=O)O)cc(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
TP53 P04637 1/20 0.36
HSP90AA1 P07900 1/20 0.35
MMP3 P08254 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
AOC3 Q16853 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
SCHEMBL6670969 0.85 KDM4E (0.45) KDM4EALDH1A1POLBTP53HSP90AA1
SCHEMBL8326095 0.84 KDM4E (0.44) KDM4EALDH1A1POLBTP53HSP90AA1
Hydrochloric Acid SCHEMBL7645327 0.84 KDM4E (0.44) KDM4EALDH1A1POLBTP53HSP90AA1
SCHEMBL6716017 0.81 L3MBTL1 (0.45) KDM4EALDH1A1POLBTP53HSP90AA1
SCHEMBL8421338 0.81 PTGS2 (0.48) KDM4EALDH1A1POLBTP53HSP90AA1
SCHEMBL7772904 0.76 KMT2A (0.37) KDM4EALDH1A1POLBTP53HSP90AA1
SCHEMBL8325647 0.76 KMT2A (0.40) KDM4EALDH1A1POLBTP53HSP90AA1
SCHEMBL9829521 0.75 ALDH1A1 (0.50) KDM4EALDH1A1HSP90AA1KMT2AMEN1
SCHEMBL8321067 0.73 POLB (0.47) KDM4EALDH1A1POLBTP53HSP90AA1
SCHEMBL2164198 0.72 PTGS2 (0.46) KDM4EALDH1A1POLBTP53HSP90AA1

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-2003075910-A1 PREVENTING AND/OR TREATING VASCULAR DISEASE, CARDIOMYOPATHY AND/OR ASSOCIATED HEART FAILURE PROTEMIX CORPORATION LIMITED (NZ) 2003-09-18 WO claimed