SCHEMBL5774835

COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](NC(=O)Oc2coc3occc23)[C@@H](C)O)cc1CC(C)(C)CCCNC(=O)N(C)C

nearest known ligand 0.34

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	HTT	P42858	1/20	0.30

▸	KMT2A	Q03164	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
SCHEMBL5774977	0.89	L3MBTL1 (0.32)	HTTKMT2A
SCHEMBL1601911	0.79	ABCB1 (0.45)	—
SCHEMBL1600700	0.79	ABCB1 (0.45)	—
SCHEMBL6621241	0.78	PDE4B (0.44)	—
SCHEMBL1602496	0.76	ABCB1 (0.46)	—
SCHEMBL1600863	0.76	ABCB1 (0.46)	—
SCHEMBL5771487	0.76	KMT2A (0.33)	HTTKMT2A
SCHEMBL1601957	0.74	TP53 (0.39)	HTTKMT2A
SCHEMBL1601501	0.74	BMP1 (0.38)	HTTKMT2A
SCHEMBL6199940	0.73	PSEN1 (0.38)	HTTKMT2A

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
EP-1637518-A2	Inhibitors of aspartyl protease	Vertex Pharmaceuticals Incorporated (US)	2006-03-22	—	—	EP	disclosed