Acetic Acid

Acetic Acid

SCHEMBL6944290

CC(=O)O.CC[N+](CC)(CC)Cc1ccccc1

nearest known ligand 0.47

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
CHRNB4 known ✓ P30926 1/20 0.43
CHRNA3 known ✓ P32297 1/20 0.43
CYP1A2 P05177 1/20 0.47
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 3/20 0.45
MEN1 O00255 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
TAS2R10 Q9NYW0 1/20 0.45
CHRNA7 P36544 2/20 0.43
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
AKR1B1 P15121 1/20 0.41
TP53 P04637 1/20 0.41
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
CHRM2 P08172 1/20 0.40

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
Acetic Acid SCHEMBL27557382 0.98 CYP1A2 (0.46) CYP1A2ALDH1A1KDM4ETDP1LMNA
Acetic Acid SCHEMBL28085379 0.96 CYP1A2 (0.45) CYP1A2ALDH1A1KDM4ETDP1LMNA
Bicarbonate SCHEMBL315103 0.94 CYP1A2 (0.49) CYP1A2ALDH1A1KDM4ETDP1LMNA
Acetic Acid SCHEMBL27557381 0.93 LMNA (0.47) CYP1A2ALDH1A1KDM4ETDP1LMNA
Acetic Acid SCHEMBL306020 0.92 LMNA (0.49) CYP1A2ALDH1A1KDM4ETDP1LMNA
Oxalic Acid SCHEMBL1050279 0.92 CYP1A2 (0.47) CYP1A2ALDH1A1KDM4ETDP1LMNA
Bicarbonate SCHEMBL315104 0.90 LMNA (0.50) CYP1A2ALDH1A1KDM4ETDP1LMNA
Bicarbonate SCHEMBL28141094 0.90 CYP1A2 (0.46) CYP1A2ALDH1A1KDM4ETDP1LMNA
Bicarbonate SCHEMBL315102 0.90 LMNA (0.50) CYP1A2ALDH1A1KDM4ETDP1LMNA
Methyl Alcohol SCHEMBL27837342 0.89 KDM4E (0.50) CYP1A2ALDH1A1KDM4ETDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103254866-B For reactive adhesive being bonded to the improved method of substrate 陶氏环球技术公司 2016-12-07 CN disclosed
CN-103254866-A Improved process for bonding reactive adhesives to substrates DOW GLOBAL TECHNOLOGIES LLC 2013-08-21 CN disclosed
CN-102149739-B Improved method for bonding reactive adhesives to substrates DOW GLOBAL TECHNOLOGIES LLC 2013-06-19 CN disclosed
WO-2003104304-A1 METHOD FOR MAKING SILOXANE POLYMERS THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2003-12-18 WO disclosed
US-20030232951-A1 Preparation of low loss optical material from difunctional silyl enol ethers and difunctional silanols AUSTRALIAN NATIONAL UNIVERSITY, THE (AU) 2003-12-18 US 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-20030232951-A1 Preparation of low loss optical material from difunctional silyl enol ethers and difunctional silanols CNKSR1, CCNL2, SAAL1 CHRNB4 4353/4885CHRNA3 3651/4885CYP1A2 959/4885

“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.