Acetic Acid

SCHEMBL4158706

C=CC(=O)NCCC(C)NC(C)CCNC(=O)C=C.C=CC(=O)NCCC(C)NC(C)CCNC(=O)C=C.C=CC(=O)NCCC(C)NC(C)CCNC(=O)C=C.CC(=O)O.CC(=O)O.CC(=O)O

nearest known ligand 0.44

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 13)

	gene	UniProt	supporting neighbours	confidence
▸	CHRNB4 known ✓	P30926	1/20	0.30

▸	ZDHHC20	Q5W0Z9	1/20	0.44

▸	ZDHHC2	Q9UIJ5	1/20	0.44

▸	TSHR	P16473	2/20	0.42

▸	ALDH1A1	P00352	2/20	0.42

▸	MAPK1	P28482	1/20	0.42

▸	TDP1	Q9NUW8	1/20	0.42

▸	TGM2	P21980	8/20	0.34

▸	GAA	P10253	1/20	0.33

▸	MTNR1A	P48039	1/20	0.32

▸	MTNR1B	P49286	1/20	0.32

▸	CHRNB2	P17787	1/20	0.30

▸	CHRNA4	P43681	1/20	0.30

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
Bromide SCHEMBL4153771	0.93	ZDHHC20 (0.47)	ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL9726142	0.81	TSHR (0.52)	ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL410374	0.79	ZDHHC20 (0.52)	ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL5057278	0.78	ZDHHC20 (0.47)	ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL151622	0.77	ZDHHC20 (0.50)	ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL28433367	0.76	ZDHHC20 (0.48)	ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL19300353	0.76	ZDHHC20 (0.48)	ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
Lactic Acid SCHEMBL613071	0.75	ZDHHC20 (0.44)	ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
Acetic Acid SCHEMBL31500687	0.75	ZDHHC20 (0.52)	ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL17183764	0.74	ZDHHC20 (0.52)	ZDHHC20ZDHHC2TSHRALDH1A1MAPK1

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20090233018-A1	INKJET RECORDING MEDIUM AND PROCESS FOR MANUFACTURING THE SAME	FUJIFILM CORPORATION (JP)	2009-09-17	—	—	US	disclosed
EP-1819521-A1	INKJET RECORDING MEDIUM AND PROCESS FOR MANUFACTURING THE SAME	FUJIFILM CORPORATION (JP)	2007-08-22	—	—	EP	disclosed
WO-2006062228-A1	INKJET RECORDING MEDIUM AND PROCESS FOR MANUFACTURING THE SAME	FUJIFILM CORPORATION (JP)	2006-06-15	—	—	WO	disclosed