Acetic Acid

SCHEMBL31185608

CC(=O)O.CCNC(=NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCN=C(NCC)NCC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O)NCC

nearest known ligand 0.72

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 16)

	gene	UniProt	supporting neighbours	confidence
▸	GNRHR known ✓	P30968	2/20	0.72

▸	OPRK1 known ✓	P41145	1/20	0.55

▸	ABCB11	O95342	1/20	0.59

▸	NTSR1	P30989	3/20	0.58

▸	NTSR2	O95665	2/20	0.58

▸	OPRM1	P35372	2/20	0.57

▸	DRD1	P21728	1/20	0.57

▸	MRGPRX2	Q96LB1	1/20	0.57

▸	NMUR2	Q9GZQ4	5/20	0.56

▸	NMUR1	Q9HB89	5/20	0.56

▸	NPY1R	P25929	3/20	0.56

▸	SORT1	Q99523	1/20	0.55

▸	OPRD1	P41143	2/20	0.55

▸	NPY2R	P49146	1/20	0.54

▸	NPY4R	P50391	1/20	0.54

▸	NPY5R	Q15761	1/20	0.54

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
Ganirelix SCHEMBL29402980	0.84	GNRHR (1.00)	GNRHRABCB11OPRM1DRD1MRGPRX2
Ganirelix SCHEMBL20521061	0.84	GNRHR (1.00)	GNRHRABCB11OPRM1DRD1MRGPRX2
SCHEMBL29390426	0.84	OPRM1 (0.61)	GNRHRABCB11OPRM1DRD1MRGPRX2
Acetic Acid SCHEMBL33809	0.83	GNRHR (0.88)	GNRHRABCB11OPRM1DRD1MRGPRX2
Ganirelix SCHEMBL19712192	0.83	GNRHR (0.98)	GNRHRABCB11OPRM1DRD1MRGPRX2
Ganirelix SCHEMBL719978	0.83	GNRHR (0.98)	GNRHRABCB11OPRM1DRD1MRGPRX2
Ganirelix SCHEMBL4405429	0.83	GNRHR (0.98)	GNRHRABCB11OPRM1DRD1MRGPRX2
SCHEMBL61985	0.82	GNRHR (0.86)	GNRHRABCB11OPRM1DRD1MRGPRX2
SCHEMBL6053414	0.82	GNRHR (0.86)	GNRHRABCB11OPRM1DRD1MRGPRX2
Glycine SCHEMBL9408385	0.81	GNRHR (0.84)	GNRHRABCB11OPRM1DRD1MRGPRX2

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-118812662-A	Method for preparing ganirelix acetate	杭州昊肽生物科技有限公司	2024-10-22	—	—	CN	disclosed