Sulfuric Acid

Sulfuric Acid

SCHEMBL28117445

COc1ccc(NCCO)cc1.O=S(=O)(O)O

nearest known ligand 0.63

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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
GAA P10253 5/20 0.63
MAPT P10636 3/20 0.63
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
APAF1 O14727 1/20 0.57
TDP2 O95551 1/20 0.57
THRB P10828 1/20 0.57
MAPK1 P28482 1/20 0.57
CASP6 P55212 1/20 0.57
KMT2A Q03164 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
LMNA P02545 1/20 0.51
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
PKM P14618 1/20 0.47
APP P05067 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL4061071 0.91 GAA (0.76) GAAMAPTALDH1A1KDM4EMEN1
Ammonia Solution, Strong SCHEMBL2858469 0.89 GAA (0.73) GAAMAPTALDH1A1KDM4EMEN1
Acetic Acid SCHEMBL10672568 0.86 MAPT (0.63) GAAMAPTALDH1A1KDM4EMEN1
Sulfuric Acid SCHEMBL30019534 0.85 CA12 (0.43) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL9816615 0.82 GAA (0.58) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL5605088 0.81 GAA (0.66) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL11112945 0.80 GAA (0.70) GAAMAPTALDH1A1KDM4EMEN1
Sulfuric Acid SCHEMBL3645950 0.80 ALDH1A1 (0.40) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL917492 0.80 GAA (0.59) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL1030950 0.79 GAA (1.00) GAAMAPTALDH1A1KDM4EMEN1

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
CN-110520101-A Nurse the purposes of the method for hair, set group and the set group COTY INC 2019-11-29 CN disclosed
CN-106280828-A A kind of elastic water proofing paint 四川力久云智知识产权运营有限公司 2017-01-04 CN disclosed