Acetic Acid

Acetic Acid

SCHEMBL4187445

CC(=O)O.OCCN1CCCC1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PTGS1PTGS2

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
CYP1A2 P05177 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 8/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 4/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 1/20 0.42
KDM4E B2RXH2 2/20 0.41
TERT O14746 1/20 0.40
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
GFER P55789 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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 SCHEMBL4192259 0.98 CYP1A2 (0.52) CYP1A2MAPK1SMN1; SMN2ALDH1A1MAPT
Acetic Acid SCHEMBL137819 0.90 ALDH1A1 (0.50) ALDH1A1POLBL3MBTL1KMT2AMEN1
Acetic Acid SCHEMBL9328243 0.90 ALDH1A1 (0.50) ALDH1A1POLBL3MBTL1KMT2AMEN1
SCHEMBL8387 0.84
SCHEMBL29025500 0.84 ALDH1A1 (0.52) CYP1A2MAPK1SMN1; SMN2ALDH1A1MAPT
SCHEMBL9020695 0.84
Acetoacetic Acid SCHEMBL7283276 0.84 CYP1A2 (0.48) CYP1A2MAPK1SMN1; SMN2ALDH1A1MAPT
Malonic Acid SCHEMBL3712526 0.84 CYP1A2 (0.52) CYP1A2MAPK1SMN1; SMN2ALDH1A1MAPT
Iodomethane SCHEMBL3386568 0.82 KMT2A (0.47) CYP1A2MAPK1SMN1; SMN2ALDH1A1MAPT
Methylamine SCHEMBL18497691 0.82 KMT2A (0.47) CYP1A2MAPK1SMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1264212-B1 ELEMENTS FOR FORMING PRINT-OUT IMAGES DU PONT (US) 2009-02-18 EP claimed
US-6869755-B2 Elements for forming print-out images E. I. DU PONT DE NEMOURS AND COMPANY (US) 2005-03-22 US claimed
EP-1264212-A2 ELEMENTS FOR FORMING PRINT-OUT IMAGES E. I. du Pont de Nemours and Company (US) 2002-12-11 EP claimed
US-20020146649-A1 Elements for forming print-out images E. I. DU PONT DE NEMOURS AND COMPANY 2002-10-10 US claimed
WO-2001067175-A2 ELEMENTS FOR FORMING PRINT-OUT IMAGES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2001-09-13 WO claimed
EP-1264212-B1 ELEMENTS FOR FORMING PRINT-OUT IMAGES DU PONT (US) 2009-02-18 EP disclosed
US-6869755-B2 Elements for forming print-out images E. I. DU PONT DE NEMOURS AND COMPANY (US) 2005-03-22 US disclosed
EP-1264212-A2 ELEMENTS FOR FORMING PRINT-OUT IMAGES E. I. du Pont de Nemours and Company (US) 2002-12-11 EP disclosed
US-20020146649-A1 Elements for forming print-out images E. I. DU PONT DE NEMOURS AND COMPANY 2002-10-10 US disclosed
WO-2001067175-A2 ELEMENTS FOR FORMING PRINT-OUT IMAGES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2001-09-13 WO disclosed