Sulfuric Acid

Sulfuric Acid

SCHEMBL9324944

O=C(O)CN(O)c1ccccc1.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 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 2/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
GLA P06280 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
SCHEMBL9743711 0.92 NPSR1 (0.46) HSP90AA1L3MBTL1SMN1; SMN2TSHRNPSR1
SCHEMBL124582 0.92 NPSR1 (0.46) HSP90AA1L3MBTL1SMN1; SMN2TSHRNPSR1
Benzene SCHEMBL28328871 0.91 TSHR (0.43) HSP90AA1L3MBTL1SMN1; SMN2TSHRKEAP1
Hydrochloric Acid SCHEMBL9194071 0.90 NPSR1 (0.44) HSP90AA1L3MBTL1SMN1; SMN2TSHRNPSR1
SCHEMBL9874763 0.89 TSHR (0.55) HSP90AA1L3MBTL1SMN1; SMN2TSHRKEAP1
Ethylbenzene SCHEMBL9196990 0.88 POLB (0.44) HSP90AA1L3MBTL1SMN1; SMN2TSHRALDH1A1
Ethylene SCHEMBL973759 0.88 NPSR1 (0.43) HSP90AA1L3MBTL1SMN1; SMN2TSHRNPSR1
SCHEMBL9875339 0.82 KEAP1 (0.52) L3MBTL1SMN1; SMN2TSHRKEAP1NFE2L2
SCHEMBL9193674 0.82 TSHR (0.42) L3MBTL1SMN1; SMN2TSHRKEAP1NFE2L2
Sulfuric Acid SCHEMBL1626445 0.82 L3MBTL1 (0.43) HSP90AA1L3MBTL1SMN1; SMN2TSHRKEAP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0450684-B1 A process for the preparation of D-(-)-4-hydroxyphenylglycine and L-(+)-4-hydroxyphenylglycine, starting from D.L.-4-hydroxyphenylglycine KESSELS GERARD (ES) 1994-03-09 EP claimed
US-5210288-A PROCESS FOR THE PREPARATION OF D-(-)-4-HYDROXYPHENYLGLYCINE AND L-(+)-4-HYDROXYPHENYLGLYCINE, STARTING FROM D.L.-4-HYDROXYPHENYLGLYCINE GERARD KESSELS S.A. (ES) 1993-05-11 US claimed
EP-0450684-A1 A process for the preparation of D-(-)-4-hydroxyphenylglycine and L-(+)-4-hydroxyphenylglycine, starting from D.L.-4-hydroxyphenylglycine Kessels, Gerard (ES) 1991-10-09 EP claimed
JP-5163216-A None JP disclosed
JP-H05163216-A PREPARATION OF D-(-)-4-HYDROXYPHENYLGLYCINE AND L-(+)-4-HYDROXYPHENYLGLYCINE FROM D,L-4-HYDROXYPHENYLGLYCINE KESSELS GERARD 1993-06-29 JP disclosed