Acetic Acid

SCHEMBL4612014

CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CCCCCCC(CC(CCCCCC)(CCCCCC)C(=O)OCC)C(CCCCCC)(CCCCCC)C(CCCCCC)(CCCCCC)C(CCCCCC)(CCCCCC)C(CCCCCC)(CCCCCC)CCCCCC

nearest known ligand 0.40

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 14)

	gene	UniProt	supporting neighbours	confidence
▸	MEN1	O00255	1/20	0.40

▸	MAPT	P10636	1/20	0.40

▸	KMT2A	Q03164	1/20	0.40

▸	ATM	Q13315	1/20	0.40

▸	L3MBTL1	Q9Y468	1/20	0.40

▸	CYP4F2	P78329	2/20	0.37

▸	CYP4A11	Q02928	2/20	0.37

▸	HTT	P42858	1/20	0.34

▸	THRB	P10828	1/20	0.32

▸	PKM	P14618	1/20	0.32

▸	ZDHHC7	Q9NXF8	1/20	0.30

▸	FDPS	P14324	1/20	0.30

▸	GPR84	Q9NQS5	3/20	0.30

▸	FFAR1	O14842	1/20	0.30

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 SCHEMBL9025723	0.99	MEN1 (0.39)	MEN1MAPTKMT2AATML3MBTL1
SCHEMBL17747690	0.96	CYP4F2 (0.40)	MEN1MAPTKMT2AATML3MBTL1
SCHEMBL7687238	0.95	CYP4F2 (0.39)	MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL4610439	0.89	MEN1 (0.40)	MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL3295013	0.88	MEN1 (0.39)	MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL369080	0.87	MAPT (0.38)	MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL1341087	0.87	MAPT (0.38)	MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL426250	0.85	MEN1 (0.37)	MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL6112028	0.85	MEN1 (0.37)	MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL4410135	0.85	MEN1 (0.37)	MEN1MAPTKMT2AATML3MBTL1

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1970375-A1	ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF	TORAY INDUSTRIES, INC. (JP)	2008-09-17	—	—	EP	disclosed