Acetic Acid

Acetic Acid

SCHEMBL3077099

CC(=O)O.CCc1cccc(C(F)(F)F)c1

nearest known ligand 0.56

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
ADRA2C known ✓ P18825 1/20 0.50
OPRK1 known ✓ P41145 1/20 0.50
ACP3 P15309 1/20 0.56
MAPT P10636 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MAOB P27338 2/20 0.55
HTR2A P28223 2/20 0.53
HTR2B P41595 2/20 0.53
HTR2C P28335 1/20 0.53
EPHX1 P07099 4/20 0.52
NR4A2 P43354 2/20 0.52
PRKCA P17252 1/20 0.52
PRKCD Q05655 1/20 0.52
TAAR1 Q96RJ0 1/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SIGMAR1 Q99720 1/20 0.50
CES2 O00748 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL46757 0.89 HTR2A (0.63) ACP3MAPTMEN1KMT2AMAOB
Ammonia Solution, Strong SCHEMBL266843 0.87 HTR2A (0.61) ACP3MAPTMEN1KMT2AMAOB
Acetic Acid SCHEMBL29007023 0.86 TAAR1 (0.57) ACP3MAPTMEN1KMT2AMAOB
Acetic Acid SCHEMBL30416620 0.86 TAAR1 (0.57) ACP3MAPTMEN1KMT2AMAOB
Hydrochloric Acid SCHEMBL21272642 0.85 IDO1 (0.59) ACP3MAPTMAOBHTR2AHTR2B
Acetic Acid SCHEMBL30416370 0.83 L3MBTL1 (0.58) ACP3MAPTMEN1KMT2AMAOB
Acetic Acid SCHEMBL27734248 0.82 BCL2 (0.56) MAPTL3MBTL1
SCHEMBL27361690 0.82 HTR2A (0.53) ACP3MAPTMEN1KMT2AMAOB
SCHEMBL265041 0.82 MEN1 (0.59) ACP3MAPTMEN1KMT2AMAOB
SCHEMBL30412285 0.82 MEN1 (0.59) ACP3MAPTMEN1KMT2AMAOB

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-20100267711-A1 METHOD OF ENHANCING CELLULAR PRODUCTION OF MOLECULAR CHAPERONE, HYDROXYLAMINE DERIVATIVES USEFUL FOR ENHANCING THE CHAPERONE PRODUCTION AND THE PREPARATION THEREOF CYTRX CORPORATION (US) 2010-10-21 US disclosed
US-7745465-B2 Method of enhancing cellular production of molecular chaperone, hydroxylamine derivatives useful for enhancing the chaperone production and the preparation thereof CYTRX CORPORATION (US) 2010-06-29 US disclosed
US-7148239-B2 Method of enhancing cellular production of molecular chaperon, hydroxylamine derivatives useful for enhancing the chaperon production and the preparation thereof CYTRX CORPORATION (US) 2006-12-12 US disclosed
US-6653326-B1 For example, N-(2-hydroxy-3-(1-piperidinyl)propoxy)-3-pyridinecarboximidoyl chloride maleate; inducing gene expression of an eukaryotic cell under physiological stress; antiallergens; autoimmune diseases; cardiovascular disorders BIOREX RESEARCH & DEVELOPMENT CO. (HU) 2003-11-25 US disclosed
CN-1177351-A Hydroxylamine derivatives for enhancing the production of molecular chaperones and preparation thereof BIOREX KUTAO RESEARCH & DEV CO (HU) 1998-03-25 CN disclosed
EP-0801649-A2 HYDROXYLAMINE DERIVATIVES USEFUL FOR ENHANCING THE MOLECULAR CHAPERON PRODUCTION AND THE PREPARATION THEREOF BIOREX KUTATO ES FEJLESZTÖ RT. (HU) 1997-10-22 EP disclosed
WO-1997016439-A1 HYDROXYLAMINE DERIVATIVES USEFUL FOR ENHANCING THE MOLECULAR CHAPERON PRODUCTION AND THE PREPARATION THEREOF Biorex Kutató és Fejlesztó Rt. (HU) 1997-05-09 WO 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-20100267711-A1 METHOD OF ENHANCING CELLULAR PRODUCTION OF MOLECULAR CHAPERONE, HYDROXYLAMINE DERIVATIVES USEFUL FOR ENHANCING THE CHAPERONE PRODUCTION AND THE PREPARATION THEREOF HSPE1, HSF1, HSP90AB2P ADRA2C 1127/4885OPRK1 2542/4885ACP3 4400/4885

“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.