Sulfuric Acid

Sulfuric Acid

SCHEMBL28055050

C=CC(=O)OC(CC)c1ccccc1.O=S(=O)(O)O

nearest known ligand 0.42

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Known targets — ChEMBL curated mechanism

ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3CALCRLCHRM1CHRM2CHRM3F2RMAOAMAOBMAP2K1MAP2K2NTRK1NTRK2NTRK3OPRD1OPRK1OPRM1P2RY12PKLRSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASLC18A2SLC6A2SLC6A3TLR7TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8dacAdacBdacCfolAftsImrcAmrcBmrdApolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmB1rpmB2rpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmHrpmIrpmJrpmJ2rpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsR1rpsR2rpsSrpsTrpsUrpsZykgMykgO

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
THRB P10828 3/20 0.38
HCAR2 Q8TDS4 1/20 0.38
CYP2C19 P33261 2/20 0.37
SRC P12931 1/20 0.37
LMNA P02545 5/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GMNN O75496 1/20 0.36
HPGD P15428 1/20 0.36
PMP22 Q01453 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KLK7 P49862 1/20 0.35
THRA P10827 1/20 0.35
MEN1 O00255 1/20 0.35
PABPC1 P11940 1/20 0.35
APOBEC3A P31941 1/20 0.35

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
SCHEMBL1371364 0.94 THRB (0.41) THRBHCAR2CYP2C19LMNAALDH1A1
SCHEMBL17844649 0.92 THRB (0.41) THRBHCAR2CYP2C19LMNAALDH1A1
Acetic Acid SCHEMBL28013205 0.91 THRB (0.40) THRBHCAR2CYP2C19LMNAALDH1A1
Propionic Acid SCHEMBL28013214 0.90 THRB (0.39) THRBHCAR2CYP2C19LMNAALDH1A1
SCHEMBL28013206 0.88 HCAR2 (0.41) THRBHCAR2CYP2C19LMNAPOLB
Methacrylic Acid SCHEMBL27994748 0.87 KLK7 (0.37) THRBHCAR2CYP2C19LMNAALDH1A1
3-Methylbutanoic Acid SCHEMBL28013211 0.85 FFAR1 (0.41) THRBHCAR2CYP2C19LMNAALDH1A1
SCHEMBL11415181 0.84 THRB (0.39) THRBHCAR2CYP2C19SRCLMNA
SCHEMBL8895848 0.83 HCAR2 (0.42) HCAR2LMNAALDH1A1POLBKMT2A
SCHEMBL3171202 0.82 THRB (0.40) THRBHCAR2CYP2C19POLBTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103891028-B Non-aqueous secondary battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2016-04-13 CN disclosed