Sulfuric Acid

Sulfuric Acid

SCHEMBL29090850

CCCCn1ccnc1C(CCC)S(=O)(=O)O.O=S(=O)(O)O

nearest known ligand 0.45

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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
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
TLR8 Q9NR97 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ARG1 P05089 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 4/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
HTT P42858 2/20 0.33
TSHR P16473 1/20 0.33
FPR2 P25090 1/20 0.33

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
SCHEMBL28722227 0.99 ALDH1A1 (0.46) ALDH1A1POLBKMT2ATLR8SMN1; SMN2
SCHEMBL28320356 0.89 ALDH1A1 (0.47) ALDH1A1POLBKMT2ATLR8SMN1; SMN2
SCHEMBL29275156 0.87 MAPT (0.40) ALDH1A1POLBKMT2ATLR8SMN1; SMN2
SCHEMBL28915264 0.84 TLR8 (0.47) ALDH1A1POLBKMT2ATLR8SMN1; SMN2
Sulfuric Acid SCHEMBL28489606 0.83 L3MBTL1 (0.40) ALDH1A1KMT2ASMN1; SMN2PKMLMNA
SCHEMBL16570039 0.82 L3MBTL1 (0.39) ALDH1A1POLBKMT2ATLR8SMN1; SMN2
Sulfuric Acid SCHEMBL31054339 0.82 FPR2 (0.34) SMN1; SMN2FPR2MAPT
SCHEMBL27975187 0.81 L3MBTL1 (0.40) ALDH1A1KMT2ASMN1; SMN2PKMLMNA
Sulfuric Acid SCHEMBL31366372 0.81 TP53 (0.39) ALDH1A1POLBKMT2ATLR8SMN1; SMN2
SCHEMBL29275155 0.80 SMN1; SMN2 (0.42) ALDH1A1POLBKMT2ATLR8SMN1; SMN2

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-113200851-B Method for synthesizing medium-long chain fatty acid fenchyl ester and borneol ester from turpentine and preparing environment-friendly plasticizer 广西壮族自治区林业科学研究院 2023-10-24 CN disclosed