SCHEMBL7629314

SCHEMBL7629314

COc1cccc(C(=O)OOC(=O)OCCC(COC(=O)OOC(=O)c2cccc(OC)c2OC)C(COC(=O)OOC(=O)c2cccc(OC)c2OC)C(CCOC(=O)OOC(=O)c2cccc(OC)c2OC)COC(=O)OOC(=O)c2cccc(OC)c2OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
POLB P06746 2/20 0.45
HPGD P15428 1/20 0.40
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 4/20 0.39
MEN1 O00255 3/20 0.38
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 2/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.36
CNR2 P34972 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
SCHEMBL7628288 0.98 KMT2A (0.45) KMT2APOLBHPGDKDM4ERAB9A
SCHEMBL7634947 0.94 KMT2A (0.47) KMT2APOLBHPGDKDM4ERAB9A
SCHEMBL7623754 0.90 PKM (0.40) KMT2APOLBRAB9AMEN1ALDH1A1
SCHEMBL7630959 0.90 ALDH1A1 (0.41) KMT2AHPGDRAB9AMEN1ALDH1A1
SCHEMBL7629505 0.88 PKM (0.40) KMT2APOLBRAB9AMEN1ALDH1A1
SCHEMBL7631029 0.87 ALDH1A1 (0.41) KMT2AHPGDRAB9AMEN1ALDH1A1
SCHEMBL7623954 0.87 KMT2A (0.47) KMT2APOLBHPGDKDM4ERAB9A
SCHEMBL7634217 0.86 L3MBTL1 (0.38) KMT2APOLBKDM4EMEN1TSHR
SCHEMBL7626986 0.84 L3MBTL1 (0.38) KMT2APOLBKDM4EMEN1TSHR
SCHEMBL7633868 0.84 PKM (0.42) KMT2APOLBHPGDKDM4ERAB9A

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