Acetic Acid

SCHEMBL9003102

CC(=O)O.COCC(=O)N[C@@H](CC(=O)NC[C@@H]1CCCN(C(=N)N)C1)C(=O)N(CCNC(=O)c1cnccn1)C1CC1

nearest known ligand 0.39

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 9)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	12/20	0.39

▸	IL2RA	P01589	1/20	0.36

▸	ALB	P02768	1/20	0.36

▸	IL2	P60568	1/20	0.36

▸	ALDH1A1	P00352	1/20	0.33

▸	TPSAB1	Q15661	1/20	0.33

▸	KMT2A	Q03164	1/20	0.33

▸	PSMB5	P28074	1/20	0.33

▸	PRSS1	P07477	1/20	0.33

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
SCHEMBL7395152	0.98	F2 (0.40)	F2IL2RAALBIL2ALDH1A1
Acetic Acid SCHEMBL9002747	0.94	F2 (0.38)	F2IL2RAALBIL2ALDH1A1
Acetic Acid SCHEMBL9002876	0.92	F2 (0.44)	F2IL2RAALBIL2ALDH1A1
SCHEMBL7395320	0.92	F2 (0.39)	F2IL2RAALBIL2ALDH1A1
SCHEMBL7396104	0.90	F2 (0.45)	F2IL2RAALBIL2ALDH1A1
SCHEMBL9002970	0.89	F2 (0.40)	F2IL2RAALBIL2ALDH1A1
Acetic Acid SCHEMBL9002983	0.89	F2 (0.39)	F2PRSS1
Hydrochloric Acid SCHEMBL9002899	0.89	F2 (0.41)	F2PSMB5PRSS1
SCHEMBL7395161	0.89	F2 (0.40)	F2IL2RAALBIL2PSMB5
Acetic Acid SCHEMBL9002800	0.89	F2 (0.39)	F2IL2RAALBIL2ALDH1A1

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-5559232-A	ANTICOAGULANTS	HOFFMANN-LA ROCHE INC. (US)	1996-09-24	—	—	US	disclosed