Sulfuric Acid

Sulfuric Acid

SCHEMBL5866498

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

nearest known ligand 0.50

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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 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.50
CYP2C19 P33261 2/20 0.46
NR1I2 O75469 1/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 1/20 0.45
HIF1A Q16665 1/20 0.43
ALDH1A1 P00352 2/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42

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
SCHEMBL28216352 0.87 ALDH1A1 (0.52) HSD11B1CYP2C19KMT2AMAPTHIF1A
SCHEMBL8683368 0.87 ALDH1A1 (0.52) HSD11B1CYP2C19KMT2AMAPTHIF1A
SCHEMBL164244 0.87 ALDH1A1 (0.52) HSD11B1CYP2C19KMT2AMAPTHIF1A
Formaldehyde SCHEMBL28051418 0.85 MAPT (0.48) HSD11B1CYP2C19NR1I2KMT2AMAPT
SCHEMBL28834712 0.85 ALDH1A1 (0.50) HSD11B1CYP2C19KMT2AMAPTHIF1A
SCHEMBL6878084 0.85 ALDH1A1 (0.50) HSD11B1CYP2C19KMT2AMAPTHIF1A
Methane SCHEMBL27871284 0.85 ALDH1A1 (0.50) HSD11B1CYP2C19KMT2AMAPTHIF1A
Tert-Butanol SCHEMBL11434050 0.85 ALDH1A1 (0.50) HSD11B1CYP2C19KMT2AMAPTHIF1A
SCHEMBL28362132 0.85 ALDH1A1 (0.50) HSD11B1CYP2C19KMT2AMAPTHIF1A
SCHEMBL27760278 0.85 ALDH1A1 (0.50) HSD11B1CYP2C19KMT2AMAPTHIF1A

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-7119056-B2 Free-flowing, amphiphilic, non-ionic oligoesters SASOL GERMANY GMBH (DE) 2006-10-10 US disclosed
US-20050101667-A1 Free-flowing, amphiphilic, non-ionic oligoesters SASOL GERMANY GMBH (DE) 2005-05-12 US disclosed