SCHEMBL7633633

SCHEMBL7633633

COc1cc(OC)c(C(=O)OOC(=O)OCC(COC(=O)OOC(=O)c2cc(OC)c(OC)cc2OC)(COC(=O)OOC(=O)c2cc(OC)c(OC)cc2OC)COC(=O)OOC(=O)c2cc(OC)c(OC)cc2OC)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
CYP3A4 P08684 2/20 0.44
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
PAX8 Q06710 1/20 0.39
MEN1 O00255 2/20 0.39
KDM4E B2RXH2 1/20 0.38
HMGCR P04035 1/20 0.37
HTT P42858 1/20 0.37
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36

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
SCHEMBL7629768 0.93 KMT2A (0.50) KMT2ACYP3A4ALDH1A1GAAMAPT
SCHEMBL7627745 0.90 KMT2A (0.48) KMT2ACYP3A4ALDH1A1GAAMAPT
SCHEMBL7634704 0.90 KMT2A (0.53) KMT2ACYP3A4ALDH1A1GAAMAPT
SCHEMBL7624187 0.83 MEN1 (0.50) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL7628964 0.83 KMT2A (0.53) KMT2AALDH1A1MAPTMEN1HTT
SCHEMBL7626184 0.81 NPC1 (0.49) KMT2AALDH1A1GAAMAPTHTT
SCHEMBL7625590 0.79 MAPT (0.55) KMT2ACYP3A4ALDH1A1GAAMAPT
SCHEMBL7673822 0.78 KMT2A (0.48) KMT2AALDH1A1GAAMAPTPKM
SCHEMBL7628242 0.78 SLC29A1 (0.48) KMT2ACYP3A4ALDH1A1PKMMEN1
SCHEMBL7626231 0.77 KMT2A (0.52) KMT2AALDH1A1GAAMEN1KDM4E

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
EP-1233014-A1 ASYMMETRIC ORGANIC PEROXIDE, CROSSLINKING AGENT COMPRISING THE SAME, AND METHOD OF CROSSLINKING WITH THE SAME NOF CORPORATION (JP) 2002-08-21 EP disclosed