Acetic Acid

Acetic Acid

SCHEMBL29252598

CC(=O)[O-].CCCCCCCCCCCC[N+]1(CCCC)CCCCC1

nearest known ligand 0.43

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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 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
CES2 O00748 4/20 0.38
CES1 P23141 4/20 0.38
KMT2A Q03164 2/20 0.35
CA2 P00918 1/20 0.34
FABP3 P05413 2/20 0.33
NAAA Q02083 2/20 0.33
MEN1 O00255 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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 SCHEMBL30330449 1.00 LMNA (0.38) LMNATDP1CYP3A4TSHRBLM
Acetic Acid SCHEMBL29251929 1.00 LMNA (0.38) LMNATDP1CYP3A4TSHRBLM
Acetic Acid SCHEMBL30330609 1.00 LMNA (0.38) LMNATDP1CYP3A4TSHRBLM
Acetic Acid SCHEMBL30212941 0.98 LMNA (0.39) LMNATDP1CYP3A4TSHRBLM
Acetic Acid SCHEMBL30330754 0.98 LMNA (0.39) LMNATDP1CYP3A4TSHRBLM
Acetic Acid SCHEMBL30330267 0.98 LMNA (0.39) LMNATDP1CYP3A4TSHRBLM
Acetic Acid SCHEMBL30330319 0.98 LMNA (0.36) LMNATDP1CYP3A4TSHRBLM
Acetic Acid SCHEMBL30212789 0.98 LMNA (0.39) LMNATDP1CYP3A4TSHRBLM
Acetic Acid SCHEMBL29251865 0.95 LMNA (0.37) LMNATDP1CYP3A4TSHRBLM
Acetic Acid SCHEMBL30330811 0.95 LMNA (0.37) LMNATDP1CYP3A4TSHRBLM

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
US-20240393290-A1 ELECTROCHEMICAL GAS SENSOR AND ELECTROLYTE FOR AN ELECTROCHEMICAL GAS SENSOR Dräger Safety AG & Co. KGaA (DE) 2024-11-28 US disclosed
CN-117999475-A Electrochemical gas sensor and electrolyte for electrochemical gas sensor 德尔格安全股份两合公司 2024-05-07 CN disclosed