Acetic Acid

Acetic Acid

SCHEMBL4280717

CC(=O)O.CCCCCCCCCCCCc1nc2nc(N)[nH]c(=O)c2[nH]1

nearest known ligand 0.49

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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 10)

geneUniProtsupporting neighboursconfidence
PNP P00491 6/20 0.49
PI4KA P42356 1/20 0.47
PI4K2B Q8TCG2 1/20 0.47
PI4K2A Q9BTU6 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
GPR84 Q9NQS5 4/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 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
SCHEMBL6272296 0.93 PNP (0.54) PNPPI4KAPI4K2BPI4K2API4KB
SCHEMBL7777164 0.93 PNP (0.54) PNPPI4KAPI4K2BPI4K2API4KB
SCHEMBL8536005 0.93 PNP (0.54) PNPPI4KAPI4K2BPI4K2API4KB
Hydrochloric Acid SCHEMBL258896 0.92 PNP (0.53) PNPPI4KAPI4K2BPI4K2API4KB
SCHEMBL8522269 0.92 PNP (0.56) PNPPI4KAPI4K2BPI4K2API4KB
SCHEMBL6272728 0.88 PNP (0.58) PNPPI4KAPI4K2BPI4K2API4KB
SCHEMBL667795 0.82 PNP (0.61) PNPMEN1ALDH1A1KMT2A
SCHEMBL21314870 0.81 PNP (0.56) PNPMEN1ALDH1A1KMT2A
SCHEMBL8196747 0.79 PNP (0.58) PNPMEN1ALDH1A1KMT2A
SCHEMBL5935062 0.79 PNP (0.70) PNPMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090133810-A1 Production method and filter comprising non woven fabric and/or filtering injector structures or sheets which are obtained using said method and which are intended for the filtration and elimination of legionella pneumophila in any installation at risk from legionella pneumophila proliferation PENALVA JOAQUIN ESPUELAS 2009-05-28 US claimed
US-20070202770-A1 Production Method and Filter Comprising Non Woven Fabric and/or Filtering Injector Structures or Sheets Which are Obtained Using Said Method and Which are Intended for the Filtration and Which are Intended for the Filtration and Elimination of Legionella Pneumofila in any Installation at Risk From Legionella Pneumofila Proliferation PENALVA JOAQUIN E 2007-08-30 US claimed
EP-1738812-A1 PRODUCTION METHOD, AND FILTER COMPRISING NON-WOVEN FABRIC AND/OR FILTERING INJECTOR STRUCTURES OR SHEETS WHICH ARE OBTAINED USING SAID METHOD AND WHICH ARE INTENDED FOR THE FILTRATION AND ELIMINATION OF LEGIONELLA PNEUMOPHILA IN ANY INSTALLATION WITH A RISK OF LEGIONELLA PNEUMOPHILA PROLIFERATION Espuelas Peñalva, Joaquin (ES) 2007-01-03 EP claimed
US-20090133810-A1 Production method and filter comprising non woven fabric and/or filtering injector structures or sheets which are obtained using said method and which are intended for the filtration and elimination of legionella pneumophila in any installation at risk from legionella pneumophila proliferation PENALVA JOAQUIN ESPUELAS 2009-05-28 US disclosed
US-20070202770-A1 Production Method and Filter Comprising Non Woven Fabric and/or Filtering Injector Structures or Sheets Which are Obtained Using Said Method and Which are Intended for the Filtration and Which are Intended for the Filtration and Elimination of Legionella Pneumofila in any Installation at Risk From Legionella Pneumofila Proliferation PENALVA JOAQUIN E 2007-08-30 US disclosed
EP-1738812-A1 PRODUCTION METHOD, AND FILTER COMPRISING NON-WOVEN FABRIC AND/OR FILTERING INJECTOR STRUCTURES OR SHEETS WHICH ARE OBTAINED USING SAID METHOD AND WHICH ARE INTENDED FOR THE FILTRATION AND ELIMINATION OF LEGIONELLA PNEUMOPHILA IN ANY INSTALLATION WITH A RISK OF LEGIONELLA PNEUMOPHILA PROLIFERATION Espuelas Peñalva, Joaquin (ES) 2007-01-03 EP disclosed