Acetic Acid

SCHEMBL28646520

C1=Cc2cc3ccc(cc4nc(cc5ccc(cc1n2)[nH]5)C=C4)[nH]3.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Co+2].[Co+2]

nearest known ligand 0.33

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 3)

	gene	UniProt	supporting neighbours	confidence
▸	STAT3	P40763	1/20	0.33

▸	STAT1	P42224	1/20	0.33

▸	NPBWR1	P48145	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 SCHEMBL27711407	1.00	STAT3 (0.33)	STAT3STAT1NPBWR1
Acetic Acid SCHEMBL28633839	1.00	STAT3 (0.33)	STAT3STAT1NPBWR1
Acetic Acid SCHEMBL29181913	0.96	STAT3 (0.33)	STAT3STAT1NPBWR1
Acetic Acid SCHEMBL21121213	0.96	STAT3 (0.33)	STAT3STAT1NPBWR1
Acetone SCHEMBL29186682	0.90	STAT3 (0.36)	STAT3STAT1
Acetic Acid SCHEMBL29181911	0.87	STAT3 (0.37)	STAT3STAT1
Acetic Acid SCHEMBL27711405	0.87	STAT3 (0.37)	STAT3STAT1
SCHEMBL29385873	0.84	STAT3 (0.41)	STAT3STAT1
SCHEMBL28505872	0.84	MAPT (0.35)	STAT3STAT1
Methyl Alcohol SCHEMBL28910587	0.82	STAT3 (0.38)	STAT3STAT1

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
CN-113363514-A	Carbon aerogel supported cobalt monoatomic catalyst for metal air battery, preparation method and application thereof	中北大学	2021-09-07	—	—	CN	claimed