Acetic Acid

Acetic Acid

SCHEMBL7836902

CC(=O)O.Nc1ccccc1Cl

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Acetic 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
TSHR P16473 4/20 0.68
ALDH1A1 P00352 6/20 0.46
POLB P06746 3/20 0.43
LMNA P02545 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
BLM P54132 1/20 0.43
HIF1A Q16665 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
RECQL P46063 1/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
NR4A2 P43354 1/20 0.41
CFTR P13569 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39

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
Bicarbonate SCHEMBL28650787 0.91 TSHR (0.75) TSHRALDH1A1POLBLMNACES2
Methyl Alcohol SCHEMBL27890061 0.85 TSHR (0.83) TSHRALDH1A1LMNACES2CES1
Acetoacetic Acid SCHEMBL11062529 0.85 TSHR (0.54) TSHRALDH1A1POLBRECQLMAPT
SCHEMBL9284480 0.83 TSHR (0.52) TSHRALDH1A1POLBLMNACES2
Acetic Acid SCHEMBL8748134 0.83 CYP3A4 (0.59) TSHRALDH1A1POLBLMNABLM
Ethane SCHEMBL27617757 0.83 TSHR (0.88) TSHRALDH1A1LMNAGAANR4A2
Benzene SCHEMBL27633873 0.83 TSHR (0.88) TSHRALDH1A1LMNANR4A2HSD17B10
1,2-Dichlorobenzene SCHEMBL27754908 0.83 TSHR (0.59) TSHRALDH1A1POLBLMNACYP1A2
1,2-Dichlorobenzene SCHEMBL8528441 0.83 TSHR (0.59) TSHRALDH1A1POLBLMNACYP1A2
Acetic Acid SCHEMBL7113663 0.83 CYP3A4 (0.59) TSHRALDH1A1POLBLMNABLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073819-B2 Compositions, methods of use, and methods of treatment UNIVERSITY OF SOUTH FLORIDA (US) 2015-07-07 US disclosed
US-20140221473-A1 Compositions, Methods of Use, and Methods of Treatment UNIVERSITY OF SOUTH FLORIDA 2014-08-07 US disclosed
WO-2013003669-A2 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT UNIVERSITY OF SOUTH FLORIDA (US) 2013-01-03 WO disclosed
EP-0721944-B1 IMIDAZOLIDINE DERIVATIVE AND USE THEREOF SUNTORY LTD (JP) 2001-01-17 EP disclosed
US-5691335-A CARDIOVASCULAR DISORDERS SUNTORY LIMITED (JP) 1997-11-25 US disclosed
EP-0721944-A1 IMIDAZOLIDINE DERIVATIVE AND USE THEREOF SUNTORY LIMITED (JP) 1996-07-17 EP disclosed
EP-0279125-A1 Tetrahydropyrido(1,2-a)indole derivatives, process for their preparation and pharmaceutical compositions containing them BEECHAM - WUELFING GmbH & Co. KG (DE) 1988-08-24 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140221473-A1 Compositions, Methods of Use, and Methods of Treatment KCNQ5, KCNQ3, KCNQ2 TSHR 4366/4885ALDH1A1 2544/4885POLB 2130/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.