Acetic Acid

Acetic Acid

SCHEMBL27901200

CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.N=C=S.NCCNCc1ccccc1

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
▸ MC4R known ✓ P32245 1/20 0.43
▸ MAOA P21397 1/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ HDAC1 Q13547 3/20 0.47
▸ HDAC3 O15379 2/20 0.47
▸ HDAC2 Q92769 2/20 0.47
▸ HDAC8 Q9BY41 2/20 0.47
▸ NCOR2 Q9Y618 2/20 0.47
▸ CHRM2 P08172 1/20 0.46
▸ ACKR3 P25106 1/20 0.44
▸ SIGMAR1 Q99720 3/20 0.44
▸ MC5R P33032 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ MAPT P10636 1/20 0.42

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 SCHEMBL27962848 0.98 MAOA (0.46) MAOAMEN1KMT2ATDP1HDAC1
Acetic Acid SCHEMBL27962834 0.98 MAOA (0.46) MAOAMEN1KMT2ATDP1HDAC1
Acetic Acid SCHEMBL28375367 0.97 KMT2A (0.49) MAOAMEN1KMT2ATDP1HDAC1
Acetic Acid SCHEMBL27733277 0.91 MEN1 (0.57) MAOAMEN1KMT2ATDP1HDAC1
Acetic Acid SCHEMBL28252800 0.91 MEN1 (0.57) MAOAMEN1KMT2ATDP1HDAC1
Acetic Acid SCHEMBL8540399 0.91 MEN1 (0.57) MAOAMEN1KMT2ATDP1HDAC1
Acetic Acid SCHEMBL29290494 0.91 MEN1 (0.57) MAOAMEN1KMT2ATDP1HDAC1
Acetic Acid SCHEMBL29170764 0.87 KMT2A (0.59) MAOAMEN1KMT2ATDP1HDAC1
Acetic Acid SCHEMBL14343057 0.87 KMT2A (0.59) MAOAMEN1KMT2ATDP1HDAC1
Acetic Acid SCHEMBL28995037 0.84 ANPEP (0.40) MEN1KMT2ASIGMAR1ALDH1A1ATM

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108802360-B Kit capable of exchanging copper and ceruloplasmin in serum and used for one-step simultaneous detection, preparation method and application 首都医科大学 2023-08-25 — — CN claimed
CN-110684109-B Monoclonal antibody for identifying heavy metal cadmium and application thereof 武玉香 2021-07-09 — — CN claimed
CN-103897180-A Preparation method of heavy metal ion complete antigen SHENZHEN INST OF ADV TECH CAS 2014-07-02 — — CN claimed
CN-103499688-A Gold-labeled test strip/card for quickly detecting mercury ions HENAN INST SCIENCE & TECH 2014-01-08 — — CN claimed
CN-103487577-A Gold-labeled test strip/card for quick detection of lead ions HENAN INST SCIENCE & TECH 2014-01-01 — — CN claimed
CN-103472231-A Indirect competition enzyme linked immunoreagent kit for detecting mercury ions and manufacturing method thereof UNIV ZHENGZHOU 2013-12-25 — — CN claimed
CN-103472230-A Indirect competition enzyme linked immunoreagent kit for detecting lead ions and manufacturing method thereof HENAN INST SCIENCE & TECH 2013-12-25 — — CN claimed
CN-103439508-A Indirect competitive enzyme linked immunosorbent assay kit for detecting chromium ions as well as preparation and detection methods thereof HENAN INST SCIENCE & TECH 2013-12-11 — — CN claimed
CN-103412126-A Gold label test paper for rapidly detecting molybdic ions, well as preparation method and application thereof HENAN INST SCIENCE & TECH 2013-11-27 — — CN claimed
CN-103412125-A Gold-labeled test strip for rapid detection of chromium ions as well as preparation method and application thereof HENAN INST SCIENCE & TECH 2013-11-27 — — CN claimed
CN-103412127-A Enzyme linked immunosorbent assay kit for detecting hexavalent molybdenum ions as well as establishment and detection methods thereof HENAN INST SCIENCE & TECH 2013-11-27 — — CN claimed
CN-103076446-A Antibody against heavy metal cadmium and application of same in detection of cadmium residue in traditional Chinese medicine UNIV TIANJIN SCIENCE & TECH 2013-05-01 — — CN claimed
CN-110684109-B Monoclonal antibody for identifying heavy metal cadmium and application thereof 武玉香 2021-07-09 — — CN disclosed
CN-110684109-A Monoclonal antibody for identifying heavy metal cadmium and application thereof 武玉香 2020-01-14 — — CN disclosed
CN-103897180-B Preparation method of heavy metal ion complete antigen 深圳先进技术研究院 2017-02-15 — — CN disclosed
CN-104155424-A Method for detecting cadmium ion pollution in water by blocking ELISA (Enzyme-Linked Immunosorbent Assay) method HENAN HUA MU BIOLOG TECHNOLOGY CO LTD 2014-11-19 — — CN disclosed
CN-103412126-A Gold label test paper for rapidly detecting molybdic ions, well as preparation method and application thereof HENAN INST SCIENCE & TECH 2013-11-27 — — CN disclosed
CN-103412125-A Gold-labeled test strip for rapid detection of chromium ions as well as preparation method and application thereof HENAN INST SCIENCE & TECH 2013-11-27 — — CN disclosed
CN-103412127-A Enzyme linked immunosorbent assay kit for detecting hexavalent molybdenum ions as well as establishment and detection methods thereof HENAN INST SCIENCE & TECH 2013-11-27 — — CN disclosed
CN-103076446-A Antibody against heavy metal cadmium and application of same in detection of cadmium residue in traditional Chinese medicine UNIV TIANJIN SCIENCE & TECH 2013-05-01 — — CN disclosed
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