SCHEMBL11520748

SCHEMBL11520748

CC(=O)c1ccc(C(C)(C)OOO)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
HPGD P15428 2/20 0.45
KMT2A Q03164 2/20 0.45
RAB9A P51151 1/20 0.45
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAOB P27338 1/20 0.41
HSD17B1 P14061 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 2/20 0.39
ESRRA P11474 1/20 0.38
STS P08842 1/20 0.38
KIF11 P52732 1/20 0.37
HDAC1 Q13547 1/20 0.37
NOS3 P29474 1/20 0.37

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
SCHEMBL10339948 0.85 SRD5A2 (0.53) MAPTHPGDKMT2AEPHX2NR1H4
SCHEMBL779449 0.85 MAPT (0.45) MAPTHPGDKMT2ARAB9AEPHX2
SCHEMBL11517109 0.84 ALDH1A1 (0.54) MAPTHPGDKMT2ARAB9AEPHX2
SCHEMBL29764513 0.83 MAPK1 (0.52) HPGDKMT2ALMNAMEN1ALDH1A1
SCHEMBL3121853 0.76 MAPT (0.44) MAPTHPGDKMT2ARAB9AEPHX2
SCHEMBL11520031 0.75 MAPK1 (0.44) HPGDKMT2ALMNAMEN1ALDH1A1
SCHEMBL677816 0.74 MAPT (0.50) MAPTHPGDKMT2ARAB9AEPHX2
SCHEMBL11278492 0.74 MAPT (0.51) MAPTHPGDKMT2ARAB9AEPHX2
SCHEMBL9472225 0.74 HPGD (0.50) MAPTHPGDKMT2ARAB9AEPHX2
SCHEMBL397829 0.74 EPHX2 (0.65) MAPTHPGDKMT2ARAB9AEPHX2

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
US-4152293-A MULTISTAGE PREPARATION AND PURIFICATION OF P-DIISOPROPYLBENZENE MONOHYDROPEROXIDE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1979-05-01 US disclosed