SCHEMBL7629883

SCHEMBL7629883

COc1cc(OC)cc(C(=O)OOC(=O)OCCC(COC(=O)OOC(=O)c2cc(OC)cc(OC)c2)C(COC(=O)OOC(=O)c2cc(OC)cc(OC)c2)C(CCOC(=O)OOC(=O)c2cc(OC)cc(OC)c2)COC(=O)OOC(=O)c2cc(OC)cc(OC)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.36
ALDH1A1 P00352 4/20 0.36
PKM P14618 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
PTPN1 P18031 1/20 0.35
MEN1 O00255 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL7634342 0.97 KMT2A (0.36) KMT2AALDH1A1PKMKDM4EGAA
SCHEMBL7636650 0.94 KMT2A (0.38) KMT2AALDH1A1PKMKDM4EGAA
SCHEMBL7629594 0.88 NPSR1 (0.45) KMT2AALDH1A1MEN1SMN1; SMN2TSHR
SCHEMBL7625638 0.88 CA1 (0.42) KMT2AALDH1A1PKMKDM4EGAA
SCHEMBL7623550 0.86 NPSR1 (0.45) KMT2AALDH1A1MEN1SMN1; SMN2TSHR
SCHEMBL7629528 0.86 KMT2A (0.38) KMT2AALDH1A1PKMKDM4EGAA
SCHEMBL7626383 0.85 SLC29A1 (0.46) KMT2AALDH1A1PKMKDM4EGAA
SCHEMBL7626076 0.85 CA1 (0.42) KMT2AALDH1A1PKMKDM4EGAA
SCHEMBL7627960 0.85 KMT2A (0.36) KMT2AALDH1A1PKMKDM4EGAA
SCHEMBL7635417 0.83 SLC29A1 (0.46) KMT2AALDH1A1PKMKDM4EGAA

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