Sulfuric Acid

Sulfuric Acid

SCHEMBL28087002

C=CC(=O)OCC[N+](C)(C)Cc1ccccc1.Cl.O=S(=O)(O)O

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 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 known ✓ P08172 4/20 0.37
▸ CHRM1 known ✓ P11229 4/20 0.37
▸ CHRM3 known ✓ P20309 4/20 0.37
▸ ADRA2A known ✓ P08913 2/20 0.37
▸ ADRA2B known ✓ P18089 2/20 0.37
▸ ADRA2C known ✓ P18825 2/20 0.37
▸ SLC6A2 known ✓ P23975 2/20 0.37
▸ SLC6A3 known ✓ Q01959 2/20 0.37
▸ ADRB2 known ✓ P07550 1/20 0.37
▸ ADRB1 known ✓ P08588 1/20 0.37
▸ ADRA1A known ✓ P35348 1/20 0.37
▸ OPRM1 known ✓ P35372 1/20 0.37
▸ OPRK1 known ✓ P41145 1/20 0.37
▸ THRB P10828 1/20 0.46
▸ DNM1 Q05193 2/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ TP53 P04637 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MAPK1 P28482 1/20 0.38

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 SCHEMBL2793232 0.99 THRB (0.47) THRBDNM1MEN1KMT2ATP53
Sulfuric Acid SCHEMBL2976040 0.94 THRB (0.45) THRBDNM1MEN1KMT2ATP53
SCHEMBL1476296 0.93 THRB (0.51) THRBDNM1MEN1KMT2ATP53
Sulfuric Acid SCHEMBL2793229 0.92 THRB (0.46) THRBDNM1MEN1KMT2ATP53
Iodide SCHEMBL2252610 0.92 THRB (0.50) THRBDNM1MEN1KMT2ATP53
Hydrochloric Acid SCHEMBL543368 0.92 THRB (0.50) THRBDNM1MEN1KMT2ATP53
Fluoride Ion SCHEMBL28527581 0.92 THRB (0.50) THRBDNM1MEN1KMT2ATP53
Bromide SCHEMBL2252458 0.92 THRB (0.50) THRBDNM1MEN1KMT2ATP53
Trifluoromethanesulfonic Acid SCHEMBL16108555 0.90 THRB (0.42) THRBDNM1MEN1KMT2ATP53
Sulfuric Acid SCHEMBL28988171 0.90 DNM1 (0.46) THRBDNM1MEN1KMT2ATP53

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-102304206-B The method preparing the dispersion of polymer particle of surfactant-free insensitive for pH in aqueous medium 阿科玛股份有限公司 2016-08-10 — — CN disclosed
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