Hydroxyamine

SCHEMBL7642633

CCCCCCCCS(=O)(=O)C(Cc1ccc(OC(C)C2CCCCN2)cc1)C(=O)O.NO

nearest known ligand 0.37

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	ITGB3	P05106	7/20	0.37

▸	ITGA2B	P08514	7/20	0.37

▸	SLC6A4	P31645	5/20	0.37

▸	ITGAV	P06756	1/20	0.37

▸	CHRM2	P08172	1/20	0.37

▸	PPARA	Q07869	2/20	0.37

▸	ITGB1	P05556	1/20	0.36

▸	ITGA4	P13612	1/20	0.36

▸	SLC6A2	P23975	5/20	0.36

▸	SLC6A3	Q01959	5/20	0.36

▸	PPARG	P37231	2/20	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
SCHEMBL6931506	0.98	ITGB3 (0.38)	ITGB3ITGA2BSLC6A4ITGAVCHRM2
SCHEMBL6928595	0.90	SLC6A2 (0.42)	ITGB3ITGA2BSLC6A4ITGAVCHRM2
SCHEMBL7623087	0.82	SLC6A3 (0.40)	SLC6A4ITGB1ITGA4SLC6A2SLC6A3
Hydroxyamine SCHEMBL7642625	0.82	ITGB3 (0.46)	ITGB3ITGA2BSLC6A4ITGAVCHRM2
SCHEMBL6931504	0.80	ITGB3 (0.47)	ITGB3ITGA2BSLC6A4ITGAVCHRM2
SCHEMBL7642628	0.72	ITGB3 (0.41)	ITGB3ITGA2BSLC6A4ITGAVCHRM2
SCHEMBL6928591	0.71	ITGB3 (0.42)	ITGB3ITGA2BSLC6A4ITGAVCHRM2
Hydroxyamine SCHEMBL7642637	0.71	MMP1 (0.56)	ITGB3ITGA2BCHRM2SLC6A2SLC6A3
SCHEMBL6932017	0.71	ITGB3 (0.43)	ITGB3ITGA2BSLC6A4ITGAVCHRM2
SCHEMBL5158501	0.71	SLC6A2 (0.46)	SLC6A4SLC6A2SLC6A3

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-6444704-B1	ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS, ANTITUMOR AGENTS	AMERICAN HOME PRODUCTS CORPORATION	2002-09-03	—	—	US	disclosed