SCHEMBL10694023

SCHEMBL10694023

CC(C)c1cccc(C(C)(C)OOOC(=O)CCC(C)(C)C(=O)OOOC(C)(C)c2cccc(C(C)C)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.36
PTPN5 P54829 3/20 0.35
TP53BP1 Q12888 1/20 0.33
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HDAC4 P56524 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
MDM4 O15151 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
TYR P14679 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
CA5A P35218 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL10695895 0.85 CYP2D6 (0.37) KIF11PTPN5KDM4ESMN1; SMN2HDAC4
SCHEMBL10693419 0.82 MAPK1 (0.44) ALDH1A1SMN1; SMN2HDAC4HDAC8CYP3A4
SCHEMBL10693738 0.82 KIF11 (0.36) KIF11PTPN5TP53BP1KDM4EALDH1A1
SCHEMBL11223626 0.77 KIF11 (0.38) KIF11PTPN5TP53BP1KDM4EALDH1A1
SCHEMBL11211969 0.73 MAPK1 (0.50) KIF11PTPN5TP53BP1KDM4EALDH1A1
SCHEMBL11666048 0.71 KIF11 (0.41) KIF11PTPN5TP53BP1KDM4EALDH1A1
SCHEMBL739397 0.70 ALDH1A1 (0.31) ALDH1A1TDP1
SCHEMBL9842667 0.70 CYP2D6 (0.41) KIF11PTPN5ALDH1A1SMN1; SMN2HDAC4
SCHEMBL11438873 0.69 MAPK1 (0.61) KIF11PTPN5KDM4EALDH1A1SMN1; SMN2
SCHEMBL9356404 0.69 MAPK1 (0.45) KIF11PTPN5TP53BP1KDM4EALDH1A1

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-0266966-A2 Novel peroxymonocarbonate NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1988-05-11 EP disclosed