SCHEMBL10693191

SCHEMBL10693191

CC(C)(CC(=O)OOOC(C)(C)c1ccccc1)CC(=O)OOOC(C)(C)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.52
CYP2C19 P33261 2/20 0.44
HIF1A Q16665 1/20 0.44
ALDH1A1 P00352 3/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 2/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.37
KCNN4 O15554 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 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
SCHEMBL30317420 0.90 MAPK1 (0.52) MAPK1CYP2C19HIF1AALDH1A1ALOX15
SCHEMBL9842510 0.82 MAPK1 (0.50) MAPK1CYP2C19HIF1AALDH1A1ALOX15
SCHEMBL29420207 0.81 MAPK1 (0.53) MAPK1CYP2C19HIF1AALDH1A1ALOX15
SCHEMBL10693738 0.80 KIF11 (0.36) MAPK1ALDH1A1ALOX15TDP1MAPT
SCHEMBL6243864 0.79 MAPK1 (0.55) MAPK1CYP2C19HIF1AALDH1A1ALOX15
SCHEMBL28678972 0.78 MAPK1 (0.48) MAPK1CYP2C19HIF1AALDH1A1ALOX15
SCHEMBL10693419 0.77 MAPK1 (0.44) MAPK1CYP2C19HIF1AALDH1A1ALOX15
SCHEMBL6663992 0.77 MAPK1 (0.44) MAPK1CYP2C19HIF1AALDH1A1ALOX15
SCHEMBL29517671 0.77 MAPK1 (0.44) MAPK1ALDH1A1ALOX15TSHRHSD17B10
SCHEMBL5184632 0.76 MAPK1 (0.43) MAPK1CYP2C19HIF1AALDH1A1ALOX15

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