Sulfuric Acid

Sulfuric Acid

SCHEMBL28857237

O=S(=O)(O)O.[Cu].[Cu].c1ccc2c(c1)CCCO2

nearest known ligand 0.46

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Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Sulfuric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 8/20 0.46
WNT3A P56704 8/20 0.46
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
ITGB2 P05107 1/20 0.40
ICAM1 P05362 1/20 0.40
ITGAL P20701 1/20 0.40
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
BRD4 O60885 2/20 0.40
USP9X Q93008 1/20 0.39
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 2/20 0.36
CRHBP P24387 2/20 0.36
CRHR2 Q13324 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 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
Sulfuric Acid SCHEMBL28267549 0.98 CTNNB1 (0.44) CTNNB1WNT3AKEAP1NFE2L2ITGB2
SCHEMBL1784992 0.91 CTNNB1 (0.44) CTNNB1WNT3AKEAP1NFE2L2ITGB2
Sulfuric Acid SCHEMBL27858419 0.89 CTNNB1 (0.47) CTNNB1WNT3AKEAP1NFE2L2ITGB2
SCHEMBL27350794 0.89 ITGB2 (0.50) CTNNB1WNT3AITGB2ICAM1ITGAL
Trifluoromethanesulfonic Acid SCHEMBL6467822 0.87 CTNNB1 (0.43) CTNNB1WNT3AKEAP1NFE2L2ITGB2
SCHEMBL27655123 0.87 ITGB2 (0.48) CTNNB1WNT3AITGB2ICAM1ITGAL
SCHEMBL8447 0.87 ITGB2 (0.52) CTNNB1WNT3AITGB2ICAM1ITGAL
SCHEMBL5313090 0.87 ITGB2 (0.52) CTNNB1WNT3AITGB2ICAM1ITGAL
SCHEMBL29356442 0.87 ITGB2 (0.52) CTNNB1WNT3AITGB2ICAM1ITGAL
SCHEMBL28007596 0.87 ITGB2 (0.52) CTNNB1WNT3AITGB2ICAM1ITGAL

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
CN-107683192-A Antimycotic synergist 拱木保护有限公司 2018-02-09 CN disclosed