SCHEMBL7630853

SCHEMBL7630853

COc1cccc(OC)c1C(=O)OOC(=O)OCC(C)(COC(=O)OOC(=O)c1c(OC)cccc1OC)COC(=O)OOC(=O)c1c(OC)cccc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ELANE P08246 1/20 0.38
TSHR P16473 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
PPARA Q07869 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 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
SCHEMBL7636322 0.90 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL7630311 0.86 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL7630256 0.84 NPC1 (0.48) KMT2ANPSR1GAAL3MBTL1ALDH1A1
SCHEMBL7632324 0.83 KMT2A (0.51) MEN1KMT2AGAAL3MBTL1ALDH1A1
SCHEMBL7625431 0.83 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL7630962 0.82 CA12 (0.38) CA12CA1CA2CA7CA9
SCHEMBL7634320 0.77 MAPT (0.54) CA12CA1CA2CA7CA9
SCHEMBL7634704 0.77 KMT2A (0.53) MEN1KMT2AGAAALDH1A1KDM4E
SCHEMBL7629164 0.76 PKM (0.45) MEN1KMT2AGAAL3MBTL1ALDH1A1
SCHEMBL7629272 0.76 ESR1 (0.51) MEN1KMT2ANPSR1SMN1; SMN2

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