Acetic Acid

SCHEMBL29958726

CC(=O)O.CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O

nearest known ligand 0.70

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 5)

	gene	UniProt	supporting neighbours	confidence
▸	NPY4R	P50391	15/20	0.70

▸	NPY1R	P25929	9/20	0.70

▸	NPY5R	Q15761	8/20	0.70

▸	NPY2R	P49146	5/20	0.70

▸	KISS1R	Q969F8	4/20	0.65

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
SCHEMBL31222365	0.99	NPY4R (0.71)	NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL29958729	0.99	NPY4R (0.71)	NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL31222373	0.94	NPY4R (0.68)	NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL31273124	0.93	NPY4R (0.66)	NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL30900089	0.93	NPY4R (0.66)	NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL31222396	0.93	NPY4R (0.66)	NPY4RNPY1RNPY5RNPY2RKISS1R
Acetic Acid SCHEMBL29959166	0.93	NPY4R (0.63)	NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL23405249	0.92	NPY4R (0.64)	NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL30900192	0.92	NPY4R (0.64)	NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL23405252	0.92	NPY4R (0.64)	NPY4RNPY1RNPY5RNPY2RKISS1R

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
WO-2022225422-A1	HEPTAPEPTIDE AMIDES FOR USE IN THE TREATMENT OF HMGB1-DEPENDENT DISEASES	Federal State Budgetary Institution Scientific center of biomedical technologies of Federal Medical and Biological Agency (RU)	2022-10-27	—	—	WO	claimed