Pentetic Acid

SCHEMBL3795685

CC(C)(O)CON1C(C)(C)CC(=O)CC1(C)C.CC(C)(O)CON1C(C)(C)CC(=O)CC1(C)C.O=C([O-])CN(CCN(CCN(CC(=O)[O-])CC(=O)O)CC(=O)O)CC(=O)[O-].[K+].[K+].[K+]

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

AGTR1 DHFR GABBR1 GABBR2 GABRA1 GABRA2 GABRA3 GABRA4 GABRA5 GABRA6 GABRB1 GABRB2 GABRB3 GABRD GABRE GABRG1 GABRG2 GABRG3 GABRP GABRQ GART NR3C2 PBP2X PTGS1 PTGS2 VKORC1 bla blaT-3 blaT-4 blaT-5 blaT-6 dacA dacB dacC folA ftsI mrcA mrcB mrdA pbp1a pbp1b pbp2a pbp2b pbp3 pol thyA

The experimentally established mechanism targets of Pentetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	CA1	P00915	4/20	0.34

▸	CA2	P00918	4/20	0.34

▸	CA4	P22748	4/20	0.34

▸	KDM4E	B2RXH2	2/20	0.33

▸	ALOX15	P16050	2/20	0.33

▸	TDP1	Q9NUW8	2/20	0.33

▸	LMNA	P02545	1/20	0.33

▸	CHRM2	P08172	1/20	0.33

▸	ADRA2A	P08913	1/20	0.33

▸	TSHR	P16473	1/20	0.33

▸	DRD1	P21728	1/20	0.33

▸	SLC6A2	P23975	1/20	0.33

▸	SLC6A4	P31645	1/20	0.33

▸	CYP2C19	P33261	1/20	0.33

▸	ADRA1A	P35348	1/20	0.33

▸	DRD3	P35462	1/20	0.33

▸	BLM	P54132	1/20	0.33

▸	PMP22	Q01453	1/20	0.33

▸	SLC6A3	Q01959	1/20	0.33

▸	HRH3	Q9Y5N1	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
Pentetic Acid SCHEMBL4165156	1.00	CA1 (0.34)	CA1CA2CA4KDM4EALOX15
Pentetic Acid SCHEMBL3799811	0.93	TDP1 (0.38)	KDM4EALOX15TDP1LMNACHRM2
Nitrilotriacetic Acid SCHEMBL4160931	0.92	MEN1 (0.34)	MEN1KMT2AGAA
Edetic Acid SCHEMBL3794253	0.92	TDP1 (0.36)	KDM4EALOX15TDP1LMNACHRM2
Edetic Acid SCHEMBL4158247	0.92	TDP1 (0.36)	KDM4EALOX15TDP1LMNACHRM2
Nitrilotriacetic Acid SCHEMBL3801359	0.87	MEN1 (0.35)	MEN1KMT2AGAA
Edetic Acid SCHEMBL4169915	0.83	KDM4E (0.31)	KDM4EALOX15TDP1MAPTSMN1; SMN2
Pentetic Acid SCHEMBL4158513	0.79	KDM4E (0.31)	KDM4EALOX15MAPTSMN1; SMN2
Pentetic Acid SCHEMBL4709760	0.79	KDM4E (0.31)	KDM4EALOX15MAPTSMN1; SMN2
SCHEMBL40239	0.78	MEN1 (0.39)	MEN1KMT2AGAA

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-8216596-B2	4-Hydroxy-1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidine, citric acid and a body care product; hindered amine salt compounds provide outstanding protection against light-induced fading	BASF SE (DE)	2012-07-10	—	—	US	claimed
US-20060262149-A1	Ink jet ink and recording material	WOOD MERVIN G	2006-11-23	—	—	US	claimed
EP-2207522-A2	BODY-CARE AND HOUSEHOLD PRODUCTS AND COMPOSITIONS COMPRISING SPECIFIC SULFUR-CONTAINING COMPOUNDS	BASF SE (DE)	2010-07-21	—	—	EP	disclosed
WO-2009047150-A2	BODY-CARE AND HOUSEHOLD PRODUCTS AND COMPOSITIONS COMPRISING SPECIFIC SULFUR-CONTAINING COMPOUNDS	BASF SE (CH)	2009-04-16	—	—	WO	disclosed
US-20060262149-A1	Ink jet ink and recording material	WOOD MERVIN G	2006-11-23	—	—	US	disclosed
WO-2006122888-A1	INK JET INK AND RECORDING MATERIAL	CIBA SPECIALTY CHEMICALS HOLDING INC. (CH)	2006-11-23	—	—	WO	disclosed