Acetic Acid

SCHEMBL7606374

CC(=O)[O-].CC(=O)[O-].CCCCCCCCCCCC[P+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC.Cc1ccc([P+](c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1

nearest known ligand 0.41

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 20)

	gene	UniProt	supporting neighbours	confidence
▸	BDKRB2 known ✓	P30411	4/20	0.40

▸	DNM1	Q05193	2/20	0.41

▸	L3MBTL1	Q9Y468	1/20	0.41

▸	CA2	P00918	1/20	0.40

▸	PLA2G2C	Q5R387	1/20	0.39

▸	ALDH1A1	P00352	3/20	0.39

▸	MCHR1	Q99705	1/20	0.39

▸	PTGES	O14684	1/20	0.36

▸	ALOX5	P09917	1/20	0.36

▸	PPARG	P37231	1/20	0.36

▸	PPARA	Q07869	1/20	0.36

▸	CA1	P00915	1/20	0.35

▸	HPGD	P15428	1/20	0.35

▸	LMNA	P02545	1/20	0.35

▸	ALB	P02768	1/20	0.35

▸	CYP2C9	P11712	1/20	0.35

▸	TSHR	P16473	1/20	0.35

▸	TDP1	Q9NUW8	1/20	0.35

▸	NPC1	O15118	1/20	0.35

▸	TP53	P04637	1/20	0.35

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 SCHEMBL1033263	0.80	ALDH1A1 (0.42)	ALDH1A1CA1HPGDLMNATDP1
Acetic Acid SCHEMBL7611733	0.80	DNM1 (0.64)	DNM1CA2CA1
Acetic Acid SCHEMBL17839027	0.80	DNM1 (0.64)	DNM1CA2CA1
Acetic Acid SCHEMBL1032903	0.80	DNM1 (0.64)	DNM1CA2CA1
Acetic Acid SCHEMBL7929478	0.80	DNM1 (0.64)	DNM1CA2CA1
Acetic Acid SCHEMBL372367	0.80	DNM1 (0.64)	DNM1CA2CA1
Acetic Acid SCHEMBL1032589	0.80	DNM1 (0.64)	DNM1CA2CA1
Acetic Acid SCHEMBL1036903	0.80	DNM1 (0.64)	DNM1CA2CA1
Acetic Acid SCHEMBL5673150	0.78	DNM1 (0.68)	DNM1CA2CA1
Acetic Acid SCHEMBL31730241	0.78	DNM1 (0.68)	DNM1CA2CA1

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
US-20020143134-A1	Process for the neutralization of residual acid species in crude dihydric phenols	SABIC INNOVATIVE PLASTICS IP B.V. (NL)	2002-10-03	—	—	US	disclosed