Sulfuric Acid

Sulfuric Acid

SCHEMBL9212923

CCCCC1(c2ccc(Cl)cc2Cl)CO1.C[S+](C)C.O=S(=O)([O-])[O-].[H+]

nearest known ligand 0.34

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Known targets — ChEMBL curated mechanism

dacAdacBdacCftsImrcAmrcBmrdA

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
CYP3A4 P08684 4/20 0.33
CYP2C9 P11712 1/20 0.33
THRB P10828 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
SLC6A4 P31645 3/20 0.32
SLC6A3 Q01959 3/20 0.32
MAP3K14 Q99558 1/20 0.32
RORC P51449 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
USP7 Q93009 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 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 SCHEMBL9212918 0.94 MAP3K14 (0.33) CYP3A4CYP2C9THRBOPRM1OPRL1
Sulfuric Acid SCHEMBL9216691 0.88 MAP3K14 (0.36) CYP3A4CYP2C9THRBSLC6A4SLC6A3
SCHEMBL28318484 0.87 CYP3A4 (0.39) CYP3A4CYP2C9THRBCNR1CNR2
SCHEMBL9835917 0.79 SLC6A4 (0.41) CYP3A4CYP2C9THRBSLC6A4SLC6A3
SCHEMBL9835436 0.73 SLC6A4 (0.43) CYP3A4CYP2C9THRBSLC6A4SLC6A3
SCHEMBL9662300 0.72 CYP3A4 (0.39) CYP3A4CYP2C9THRBSLC6A4SLC6A3
SCHEMBL9664109 0.71 CYP3A4 (0.38) CYP3A4CYP2C9THRBSLC6A4SLC6A3
SCHEMBL10885411 0.68 SLC6A4 (0.44) CYP3A4CYP2C9THRBSLC6A4SLC6A3
SCHEMBL8804298 0.68 CYP3A4 (0.43) CYP3A4CYP2C9THRBSLC6A4SLC6A3
SCHEMBL11273687 0.67 UTS2R (0.40) SLC6A4SLC6A3SMN1; SMN2

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
EP-0636120-A1 EPOXIDATION PROCESS OF CARBONYL COMPOUNDS USING SULPHONIUM OR SULPHOXONIUM YLIDES AND INTERMEDIATES ZENECA LIMITED (GB) 1995-02-01 EP disclosed
WO-1992014703-A1 EPOXIDATION PROCESS OF CARBONYL COMPOUNDS USING SULPHONIUM OR SULPHOXONIUM YLIDES AND INTERMEDIATES ZENECA LIMITED (GB) 1992-09-03 WO disclosed