Tetrabuthylammonium

SCHEMBL27670752

CCCC[N+](CCCC)(CCCC)CCCC.NC(C(Cc1ccccc1F)C(=O)OCc1ccccc1)S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	ALDH1A1	P00352	2/20	0.38

▸	CYP3A4	P08684	1/20	0.38

▸	TSHR	P16473	1/20	0.38

▸	MAPK1	P28482	1/20	0.38

▸	TDP1	Q9NUW8	1/20	0.38

▸	L3MBTL1	Q9Y468	1/20	0.38

▸	SIRT2	Q8IXJ6	13/20	0.36

▸	KMT2A	Q03164	2/20	0.36

▸	MEN1	O00255	1/20	0.36

▸	HPGD	P15428	1/20	0.36

▸	SIRT1	Q96EB6	9/20	0.35

▸	SIRT3	Q9NTG7	9/20	0.35

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
SCHEMBL5562561	0.89	PTPN1 (0.40)	ALDH1A1L3MBTL1KMT2A
Tetrabuthylammonium SCHEMBL5560785	0.78	CTRB1 (0.43)	SIRT2SIRT1SIRT3
Tetrabuthylammonium SCHEMBL5560786	0.76	CTRB1 (0.43)	SIRT2SIRT1SIRT3
SCHEMBL14793824	0.71	PTPN1 (0.48)	ALDH1A1MAPK1TDP1L3MBTL1KMT2A
SCHEMBL27733642	0.69	SLC1A1 (0.48)	ALDH1A1MAPK1TDP1L3MBTL1KMT2A
Tetrabuthylammonium SCHEMBL8942966	0.68	ALDH1A1 (0.51)	ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL27284289	0.67	ALDH1A1 (0.47)	ALDH1A1MAPK1TDP1L3MBTL1KMT2A
Tetrabuthylammonium SCHEMBL9033781	0.66	ALDH1A1 (0.49)	ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL5562553	0.66	CTRB1 (0.52)	ALDH1A1KMT2A
Tetrabuthylammonium SCHEMBL28147309	0.65	CETP (0.41)	ALDH1A1CYP3A4TSHRMAPK1TDP1

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-1980892-A	Dpp-IV inhibitors	SANTHERA PHARMACEUTICALS CH (CH)	2007-06-13	—	—	CN	disclosed