Acetic Acid

SCHEMBL29533494

CC(=O)O.CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CSSC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(=O)O

nearest known ligand 0.69

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 11)

	gene	UniProt	supporting neighbours	confidence
▸	OPRK1 known ✓	P41145	1/20	0.54

▸	TFPI	P10646	1/20	0.69

▸	KEAP1	Q14145	1/20	0.56

▸	KISS1R	Q969F8	5/20	0.55

▸	VIPR1	P32241	2/20	0.54

▸	NMUR2	Q9GZQ4	2/20	0.54

▸	NMUR1	Q9HB89	2/20	0.54

▸	OPRM1	P35372	1/20	0.54

▸	OPRD1	P41143	1/20	0.54

▸	PTH1R	Q03431	1/20	0.53

▸	VIPR2	P41587	1/20	0.53

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
SCHEMBL29366672	0.99	TFPI (0.69)	TFPIKEAP1KISS1RVIPR1NMUR2
SCHEMBL29387068	0.99	TFPI (0.69)	TFPIKEAP1KISS1RVIPR1NMUR2
SCHEMBL30842195	0.91	TFPI (0.65)	TFPIKEAP1VIPR1OPRM1OPRD1
SCHEMBL29405667	0.91	TFPI (0.66)	TFPIKEAP1OPRM1OPRD1OPRK1
SCHEMBL30863947	0.91	TFPI (0.66)	TFPIOPRM1OPRD1OPRK1
SCHEMBL30601869	0.89	TFPI (0.79)	TFPIVIPR1VIPR2
SCHEMBL30436216	0.89	TFPI (0.79)	TFPIVIPR1VIPR2
SCHEMBL29548324	0.89	TFPI (0.63)	TFPIKISS1R
SCHEMBL30842196	0.89	OPRM1 (0.64)	TFPIKISS1ROPRM1OPRD1OPRK1
SCHEMBL31141457	0.89	TFPI (0.70)	TFPIKISS1ROPRM1OPRD1OPRK1

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20250295587-A1	COMPLEX LIPID NANOPARTICLES ENCAPSULATING POLYPEPTIDES AND USES THEREOF	SAIL BIOMEDICINES, INC.	2025-09-25	—	—	US	disclosed
US-20240398884-A1	PLANT MESSENGER PACKS ENCAPSULATING POLYPEPTIDES AND USES THEREOF	FLAGSHIP PIONEERING INNOVATIONS VI LLC (US)	2024-12-05	—	—	US	disclosed
US-20220288150-A1	PLANT MESSENGER PACKS ENCAPSULATING POLYPEPTIDES AND USES THEREOF	FLAGSHIP PIONEERING INNOVATIONS VI, LLC	2022-09-15	—	—	US	disclosed
US-20220152139-A1	PLANT MESSENGER PACKS ENCAPSULATING POLYPEPTIDES AND USES THEREOF	FLAGSHIP PIONEERING INNOVATIONS VI, LLC	2022-05-19	—	—	US	disclosed