Acetic Acid

Acetic Acid

SCHEMBL362668

CC(=O)O.O=S(=O)(CCCc1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.55

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 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
GAA P10253 2/20 0.55
TP53 P04637 1/20 0.55
HTT P42858 1/20 0.53
HSD11B1 P28845 2/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
KMT2A Q03164 4/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47
POLB P06746 3/20 0.46
GRK2 P25098 1/20 0.46
CNR1 P21554 1/20 0.46
MEN1 O00255 1/20 0.45

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
SCHEMBL9320853 0.92 GAA (0.62) ALDH1A1GAATP53HTTHSD11B1
SCHEMBL4820396 0.84 GAA (0.59) ALDH1A1GAATP53HTTHSD11B1
SCHEMBL11727133 0.83 HDAC1 (0.61) HSD11B1HDAC1HDAC8KMT2ALMNA
Acetic Acid SCHEMBL10581041 0.82 HTT (0.60) ALDH1A1HTTHSD11B1NPSR1PLAAT3
Acetic Acid SCHEMBL10578543 0.82 HDAC1 (0.53) ALDH1A1GAAHTTHDAC1HDAC8
SCHEMBL10580731 0.82 HDAC1 (0.56) ALDH1A1HSD11B1HDAC1HDAC8KMT2A
SCHEMBL3250400 0.82 TBXA2R (0.62) ALDH1A1GAATP53HTTHSD11B1
SCHEMBL10583129 0.80 TBXA2R (0.52) ALDH1A1GAATP53HTTHSD11B1
SCHEMBL362669 0.80 ALDH1A1 (0.54) ALDH1A1GAAHTTKMT2ANPSR1
SCHEMBL10995947 0.80 HDAC1 (0.63) ALDH1A1HSD11B1HDAC1HDAC8SMN1; 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 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0357030-B1 Use of thromboxane A2 receptor antagonists for the preparation of a pharmaceutical composition for treating skin injuries SQUIBB & SONS INC (US) 1994-01-19 EP claimed
EP-0337697-B1 USE OF A THROMBOXANE A2 RECEPTOR ANTAGONIST FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING PULMONARY HYPERTENSION CAUSED BY PROTAMINE INDUCED NEUTRALIZATION OF HEPAMIN SQUIBB & SONS INC (US) 1993-08-04 EP claimed
EP-0309801-B1 USE OF THROMBOXANE A2 ANTAGONISTS FOR THE MANUFACTURE OF A MEDICAMENT FOR IMPROVING POST-ISCHEMIC MYOCARDIAL DYSFUNCTION E.R. Squibb & Sons, Inc. (US) 1993-05-12 EP claimed
US-H1139-H Reduced myocardial infarction size and angina pain; prevention of reocclusion with no adverse side effects E. R. SQUIBB & SONS, INC. (US) 1993-02-02 US claimed
EP-0340008-B1 METHOD OF PREVENTING OR REDUCING VENOUS THROMBOSIS USING A THROMBOXANE A2 RECEPTOR ANTAGONIST IN CONJUNCTION WITH HEPARIN AND COMBINATION SQUIBB & SONS INC (US) 1992-10-14 EP claimed
EP-0351755-B1 COMBINATION OF A CALCIUM CHANNEL BLOCKER AND THROMBOXANE A2 RECEPTOR ANTAGONIST OR SYNTHETASE INHIBITOR AND METHOD FOR TREATING ISCHEMIA EMPLOYING SUCH COMBINATION E.R. SQUIBB & SONS, INC. (US) 1992-09-30 EP claimed
US-5066480-A Treating pulmonary hypertension caused by protamine induced neutralization of heparin E. R. SQUIBB & SONS, INC. (US) 1991-11-19 US claimed
US-4931460-A ADMINISTERING 7-OXA-BICYLOHEPTANE PROSTAGLANDIN ANALOGS E. R. SQUIBB & SONS, INC. (US) 1990-06-05 US claimed
US-4925873-A PROSTAGLANDIN DERIVATIVES OR SUBSTITUTED PHENYLACETIC ACIDS E. R. SQUIBB & SONS, INC. (US) 1990-05-15 US claimed
EP-0357030-A2 Use of thromboxane A2 receptor antagonists for the preparation of a pharmaceutical composition for treating skin injuries E.R. SQUIBB & SONS, INC. (US) 1990-03-07 EP claimed
EP-0351755-A1 Combination of a calcium channel blocker and thromboxane A2 receptor antagonist or synthetase inhibitor and method for treating ischemia employing such combination E.R. SQUIBB & SONS, INC. (US) 1990-01-24 EP claimed
EP-0340008-A1 Method of preventing or reducing venous thrombosis using a thromboxane A2 receptor antagonist in conjunction with heparin and combination E.R. SQUIBB & SONS, INC. (US) 1989-11-02 EP claimed
EP-0337697-A2 Use of a thromboxane A2 receptor antagonist for the manufacture of a medicament for treating pulmonary hypertension caused by protamine induced neutralization of hepamin E.R. SQUIBB & SONS, INC. (US) 1989-10-18 EP claimed
EP-0332306-A2 Preventing platelet loss using a thromboxane A2 receptor antagonist E.R. Squibb & Sons, Inc. (US) 1989-09-13 EP claimed
US-4857548-A Method of preventing or reducing platelet loss during extracorporeal circulation using a thromboxane A2 receptor antagonist E. R. SQUIBB & SONS, INC. (US) 1989-08-15 US claimed
EP-0320935-A2 Method of preventing or treating toxemia in pregnancy using a thromboxane A2 receptor antagonist E.R. Squibb & Sons, Inc. (US) 1989-06-21 EP claimed
EP-0309801-A2 Use of thromboxane A2 antagonists for the manufacture of a medicament for improving post-ischemic myocardial dysfunction E.R. Squibb & Sons, Inc. (US) 1989-04-05 EP claimed
US-4808627-A Method of preventing or treating toxemia in pregnancy using a thromboxane A2 receptor antagonist E. R. SQUIBB & SONS, INC. (US) 1989-02-28 US claimed
US-20250114334-A1 Ifetroban Treatment for Systemic Sclerosis VANDERBILT UNIVERSITY 2025-04-10 US disclosed
EP-0297768-A1 Arylthioalkylphenyl carboxylic acids, compositions containing same and method of use E.R. Squibb & Sons, Inc. (US) 1989-01-04 EP disclosed