Sulfuric Acid

Sulfuric Acid

SCHEMBL9689209

C=CCc1ccc(Oc2ccc(CC=C)c3c2CCO3)c2c1OCC2.O=S(=O)(O)O

nearest known ligand 0.35

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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
POLB P06746 2/20 0.35
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
TEAD1 P28347 1/20 0.32
TEAD4 Q15561 1/20 0.32
TEAD2 Q15562 1/20 0.32
TEAD3 Q99594 1/20 0.32
PTGDR Q13258 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
HTR2C P28335 3/20 0.31
HTR2A P28223 2/20 0.31
HTR2B P41595 2/20 0.31
MAPT P10636 1/20 0.31
ELANE P08246 1/20 0.30
PTPN1 P18031 1/20 0.30

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 SCHEMBL7193352 0.99 POLB (0.34) POLBCYP3A4ALOX15TEAD1TEAD4
SCHEMBL461683 0.92 CYP3A4 (0.37) POLBCYP3A4ALOX15HTR2CHTR2A
SCHEMBL8926874 0.88 POLB (0.34) POLBCYP3A4ALOX15TEAD1TEAD4
SCHEMBL11080708 0.81 CYP3A4 (0.37) POLBCYP3A4ALOX15TEAD1TEAD4
Sulfuric Acid SCHEMBL1424848 0.76 LTB4R (0.38) CYP3A4ALOX15MAPTELANE
SCHEMBL11667886 0.76 CYP3A4 (0.33) POLBCYP3A4ALOX15MAPT
SCHEMBL9606474 0.73 CYP3A4 (0.31) CYP3A4ALOX15MAPT
Acrylic Acid SCHEMBL1261322 0.70 THRB (0.43)
SCHEMBL4634142 0.70 GABRA1 (0.46) POLBCYP3A4MAPT
SCHEMBL11665412 0.68 CYP3A4 (0.39) POLBCYP3A4ALOX15PTGDRPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4696760-A Method for production of aqueous dispersion of N-substituted N',N'-alkylene urea NIPPON SHOKUBAI KAGAKU KOGYO CO., LTD. (JP) 1987-09-29 US claimed
US-5143546-A Inks with adhesion which varies with voltage CANON KABUSHIKI KAISHA (JP) 1992-09-01 US disclosed
US-5017223-A Liquid Dispersion Of An Electrolyte Capable Of Changing Its Adhesiveness In Response To Voltage Application CANON KABUSHIKI KAISHA (JP) 1991-05-21 US disclosed
EP-0352796-A2 Recording material CANON KABUSHIKI KAISHA (JP) 1990-01-31 EP disclosed
US-4696760-A Method for production of aqueous dispersion of N-substituted N',N'-alkylene urea NIPPON SHOKUBAI KAGAKU KOGYO CO., LTD. (JP) 1987-09-29 US disclosed
US-4578314-A ABRASIVE PARTICLES IN DISPERSION TDK CORPORATION (JP) 1986-03-25 US disclosed