Phenolsulfonic Acid

Phenolsulfonic Acid

SCHEMBL9682015

O=S(=O)(O)O.O=S(=O)(O)c1ccc(O)cc1

nearest known ligand 0.94

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Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Phenolsulfonic 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
LMNA P02545 2/20 0.94
ALDH1A1 P00352 5/20 0.56
CA2 P00918 4/20 0.56
CA12 O43570 3/20 0.56
CA9 Q16790 3/20 0.56
TSHR P16473 2/20 0.56
CA1 P00915 2/20 0.56
NT5E P21589 1/20 0.56
ENPP2 Q13822 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
HSD17B10 Q99714 4/20 0.50
HPGD P15428 3/20 0.50
CYP3A4 P08684 2/20 0.50
ALOX15 P16050 2/20 0.50
RECQL P46063 2/20 0.50
HIF1A Q16665 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
TP53 P04637 1/20 0.50
THRB P10828 1/20 0.50
CASP1 P29466 1/20 0.50

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
Phenolsulfonic Acid SCHEMBL18275 0.97 LMNA (1.00) LMNAALDH1A1CA2CA12CA9
Phenolsulfonic Acid SCHEMBL29965481 0.97 LMNA (1.00) LMNAALDH1A1CA2CA12CA9
Phenolsulfonic Acid SCHEMBL10622999 0.97 LMNA (1.00) LMNAALDH1A1CA2CA12CA9
Phenolsulfonic Acid SCHEMBL2518117 0.94 LMNA (0.94) LMNAALDH1A1CA2CA12CA9
Phenolsulfonic Acid SCHEMBL687364 0.94 LMNA (0.94) LMNAALDH1A1CA2CA12CA9
Phenolsulfonic Acid SCHEMBL119166 0.94 LMNA (0.94) LMNAALDH1A1CA2CA12CA9
Phenolsulfonic Acid SCHEMBL20815893 0.94 LMNA (0.94) LMNAALDH1A1CA2CA12CA9
Phenolsulfonic Acid SCHEMBL125057 0.94 LMNA (0.94) LMNAALDH1A1CA2CA12CA9
Phenolsulfonic Acid SCHEMBL8781964 0.94 LMNA (0.94) LMNAALDH1A1CA2CA12CA9
Phenolsulfonic Acid SCHEMBL11084147 0.94 LMNA (0.94) LMNAALDH1A1CA2CA12CA9

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-5153348-A Ester exchanging a choline salt with carbonate esters in aprotic solvents and solidification LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1992-10-06 US claimed
EP-0475512-A1 Process for preparing quaternary ammonium carbonate esters UNILEVER N.V. (NL) 1992-03-18 EP claimed