Isopropylbenzene

Isopropylbenzene

SCHEMBL27465893

CC(C)c1ccccc1.O=S(=O)(O)OOS(=O)(=O)O.OO

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GMNN O75496 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
PMP22 Q01453 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
PTPN11 Q06124 1/20 0.45
SRC P12931 1/20 0.44
CA2 P00918 1/20 0.42
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39

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
Isopropylbenzene SCHEMBL28024206 0.94 PTPN1 (0.42) KMT2ALMNAALDH1A1MAPTKDM4E
Isopropylbenzene SCHEMBL894807 0.87 ALDH1A1 (0.57) KMT2ALMNAALDH1A1MAPTKDM4E
Isopropylbenzene SCHEMBL27353084 0.87 ALDH1A1 (0.57) KMT2ALMNAALDH1A1MAPTKDM4E
Isopropylbenzene SCHEMBL719550 0.85 ALDH1A1 (0.55) KMT2ALMNAALDH1A1MAPTKDM4E
Isopropylbenzene SCHEMBL2013493 0.85 ALDH1A1 (0.55) KMT2ALMNAALDH1A1MAPTKDM4E
Isopropylbenzene SCHEMBL27513961 0.85 ALDH1A1 (0.55) KMT2ALMNAALDH1A1MAPTKDM4E
Isopropylbenzene SCHEMBL8330332 0.85 ALDH1A1 (0.55) KMT2ALMNAALDH1A1MAPTKDM4E
Isopropylbenzene SCHEMBL8330328 0.85 ALDH1A1 (0.55) KMT2ALMNAALDH1A1MAPTKDM4E
Isopropylbenzene SCHEMBL27343723 0.83 ALDH1A1 (0.48) KMT2ALMNAALDH1A1MAPTKDM4E
Isopropylbenzene SCHEMBL20448550 0.83 SRC (0.52) KMT2ALMNAALDH1A1MAPTKDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100390259-C Metal ligand containing bleaching compositions UNIV CARNEGIE MELLON (US) 2008-05-28 CN disclosed
CN-100352902-C Metal ligand containing bleaching composition UNIV CARNEGIE MELLON (US) 2007-12-05 CN disclosed
CN-1152950-C Metal ligand-contg. bleaching compositions ���ڻ�÷¡��ѧ 2004-06-09 CN disclosed
CN-1309689-A Metal ligand-contg. bleaching compositions UNIV CARNEGIE MELLON (US) 2001-08-22 CN disclosed
CN-1230980-A Metal ligand containing bleaching compositions UNIV CARNEGIE MELLON (US) 1999-10-06 CN disclosed
CN-1230979-A Metal ligand-containing bleaching compositions UNIV CARNEGIE MELLON (US) 1999-10-06 CN disclosed