Acetic Acid

SCHEMBL7046447

CC(=O)O.CC(=O)O.CN1CCN([C@H]2CC[C@H](n3nc(-c4ccc(NCc5c(F)cccc5Cl)cc4)c4c(N)ncnc43)CC2)CC1.Cc1[nH]ncc1CNc1ccc(-c2nn([C@H]3CC[C@H](N4CCN(C)CC4)CC3)c3ncnc(N)c23)cc1

nearest known ligand 0.54

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 10)

	gene	UniProt	supporting neighbours	confidence
▸	LCK	P06239	8/20	0.54

▸	SRC	P12931	8/20	0.54

▸	TEK	Q02763	8/20	0.54

▸	KDR	P35968	4/20	0.54

▸	IGF1R	P08069	12/20	0.52

▸	EGFR	P00533	11/20	0.52

▸	ERBB2	P04626	11/20	0.52

▸	ERBB3	P21860	11/20	0.52

▸	ERBB4	Q15303	11/20	0.52

▸	BTK	Q06187	1/20	0.48

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 SCHEMBL6430992	0.92	LCK (0.62)	LCKSRCTEKKDRIGF1R
Acetic Acid SCHEMBL6430995	0.92	LCK (0.62)	LCKSRCTEKKDRIGF1R
SCHEMBL6433836	0.88	LCK (0.65)	LCKSRCTEKKDRIGF1R
SCHEMBL6433833	0.88	LCK (0.65)	LCKSRCTEKKDRIGF1R
SCHEMBL6430411	0.87	LCK (0.67)	LCKSRCTEKKDRIGF1R
SCHEMBL6430407	0.87	LCK (0.67)	LCKSRCTEKKDRIGF1R
Acetic Acid SCHEMBL6462699	0.84	SRC (0.68)	LCKSRCTEKKDRIGF1R
Acetic Acid SCHEMBL6462695	0.84	SRC (0.68)	LCKSRCTEKKDRIGF1R
SCHEMBL5800665	0.84	IGF1R (0.63)	LCKSRCTEKKDRIGF1R
SCHEMBL6430355	0.84	LCK (0.71)	LCKSRCTEKKDRIGF1R

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-2004100868-A2	METHOD OF TREATING TRANSPLANT REJECTION	ABBOTT LABORATORIES (US)	2004-11-25	—	—	WO	disclosed