Hydrogen Peroxide

Hydrogen Peroxide

SCHEMBL11143418

CC(C)c1cccc(OS(=O)(=O)C(F)(F)F)c1.OO

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
MDM4 O15151 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
TYR P14679 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
CA5A P35218 1/20 0.45
HTT P42858 1/20 0.45
MDM2 Q00987 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL8007159 0.98 CXCR2 (0.43) CXCR2KDM4EALDH1A1SMN1; SMN2HDAC4
SCHEMBL1821733 0.86 PTGS1 (0.61) CXCR2KDM4EALDH1A1SMN1; SMN2CYP3A4
SCHEMBL1820336 0.83 PTGS1 (0.53) CXCR2ALDH1A1SMN1; SMN2HTTCXCR1
SCHEMBL26452905 0.81 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2HDAC4HDAC8
SCHEMBL28796600 0.81 CXCR2 (0.44) CXCR2CA1CA2CXCR1DRD2
SCHEMBL5178160 0.80 CA1 (0.56) CXCR2CA1CA2CA9DRD2
SCHEMBL26619579 0.79 HIF1A (0.51) KDM4EALDH1A1SMN1; SMN2CYP3A4MAPT
SCHEMBL19784575 0.79 KMT2A (0.43) CXCR2ALDH1A1TDP1CXCR1PTGS1
SCHEMBL10172546 0.78 CA2 (0.66) KDM4ECA1CA2CA9TSHR
SCHEMBL2502795 0.78 FFAR1 (0.46) CXCR2SMN1; SMN2MAPTCXCR1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4423254-A Superacid catalyzed preparation of resorcinol from meta-isopropylphenol PCUK PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1983-12-27 US disclosed
US-4339614-A Superacid catalyzed preparation of resorcinol from meta-isopropylphenol PCUK PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1982-07-13 US disclosed