Acetic Acid

SCHEMBL2856924

CC(=O)NC1CC(C)(C)N(O)C(C)(C)C1.CC(=O)NC1CC(C)(C)N(O)C(C)(C)C1.CC(=O)NC1CC(C)(C)N(O)C(C)(C)C1.CC(=O)NC1CC(C)(C)N(O)C(C)(C)C1.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.NCCN

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA2A ADRA2B ADRA2C ADRB2 AGTR1 AVPR1A AVPR1B AVPR2 BDKRB2 CALCR CHRNA3 CHRNB4 ESR1 ESR2 GHSR GNRHR GSC1 HSPA8 MALT1 MC1R MC4R NOS1 NOS2 NOS3 OPRK1 OXTR RAMP1 RAMP2 RAMP3 SCN5A SSTR1 SSTR2 SSTR3 SSTR4 SSTR5 dacA dacB dacC folP ftsI mrcA mrcB mrdA rplA rplB rplC rplD rplE rplF rplJ rplK rplL rplM rplN rplO rplP rplQ rplR rplS rplT rplU rplV rplW rplX rplY rpmA rpmB rpmC rpmD rpmE rpmF rpmG rpmH rpmI rpmJ rpsA rpsB rpsC rpsD rpsE rpsF rpsG rpsH rpsI rpsJ rpsK rpsL rpsM rpsN rpsO rpsP rpsQ rpsR rpsS rpsT rpsU ykgM ykgO

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 12)

	gene	UniProt	supporting neighbours	confidence
▸	GAA	P10253	3/20	0.43

▸	KDM4E	B2RXH2	3/20	0.43

▸	KMT2A	Q03164	1/20	0.41

▸	ALOX15	P16050	1/20	0.33

▸	ALDH1A1	P00352	2/20	0.32

▸	ATM	Q13315	1/20	0.32

▸	L3MBTL1	Q9Y468	1/20	0.32

▸	GRM6	O15303	2/20	0.31

▸	GRM2	Q14416	2/20	0.31

▸	GRM3	Q14832	2/20	0.31

▸	GRM8	O00222	1/20	0.31

▸	MAPK8	P45983	1/20	0.31

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.

Compound	similarity	top predicted	shared targets
Acetic Acid SCHEMBL27534325	1.00	GAA (0.43)	GAAKDM4EKMT2AALOX15ALDH1A1
Acetic Acid SCHEMBL2864226	0.91	KDM4E (0.43)	GAAKDM4EKMT2AALOX15MAPK8
Acetic Acid SCHEMBL27621684	0.91	KDM4E (0.43)	GAAKDM4EKMT2AALOX15MAPK8
SCHEMBL272472	0.88	GAA (0.51)	GAAKDM4EKMT2AALOX15ALDH1A1
SCHEMBL27648896	0.88	GAA (0.45)	GAAKDM4EKMT2AALDH1A1ATM
Ethylene SCHEMBL4022004	0.84	GAA (0.49)	GAAKDM4EKMT2AALOX15ALDH1A1
SCHEMBL27533995	0.84	GAA (0.49)	GAAKDM4EKMT2AALOX15ALDH1A1
Ethylene SCHEMBL3945212	0.83	GAA (0.48)	GAAKDM4EKMT2AALOX15ALDH1A1
Sulfuric Acid SCHEMBL16155934	0.81	KDM4E (0.47)	GAAKDM4EKMT2AALOX15ALDH1A1
SCHEMBL28922290	0.81	GAA (0.47)	GAAKDM4EKMT2AALOX15ALDH1A1

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1499286-B1	STABILIZED BODY CARE PRODUCTS AND HOUSEHOLD PRODUCTS	BASF SE (DE)	2010-04-07	—	—	EP	claimed
EP-1954457-B1	COLOR STABILIZATION OF CORK AND COLORED WOODS BY THE COMBINED USE OF INORGANIC AND ORGANIC UV-ABSORBERS	CIBA HOLDING INC (CH)	2009-04-15	—	—	EP	claimed
EP-1362083-A1	INK-JET INK AND RECORDING MATERIAL	Ciba SC Holding AG (CH)	2003-11-19	—	—	EP	claimed
WO-2002055618-A1	INK-JET INK AND RECORDING MATERIAL	CIBA SPECIALTY CHEMICALS HOLDING INC. (CH)	2002-07-18	—	—	WO	claimed
EP-1230276-B1	PHOTOINITIATOR FORMULATIONS	CIBA SC HOLDING AG (CH)	2005-12-14	—	—	EP	disclosed
EP-1362083-A1	INK-JET INK AND RECORDING MATERIAL	Ciba SC Holding AG (CH)	2003-11-19	—	—	EP	disclosed
EP-1230276-A1	PHOTOINITIATOR FORMULATIONS	Ciba SC Holding AG (CH)	2002-08-14	—	—	EP	disclosed
WO-2002055618-A1	INK-JET INK AND RECORDING MATERIAL	CIBA SPECIALTY CHEMICALS HOLDING INC. (CH)	2002-07-18	—	—	WO	disclosed
WO-2001029093-A1	PHOTOINITIATOR FORMULATIONS	CIBA SPECIALTY CHEMICALS HOLDING INC. (CH)	2001-04-26	—	—	WO	disclosed