SCHEMBL23109986

CNC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	10/20	0.39

▸	CTSD	P07339	10/20	0.39

▸	CTSE	P14091	10/20	0.39

▸	ABCB1	P08183	2/20	0.34

▸	MMP2	P08253	1/20	0.30

▸	MMP9	P14780	1/20	0.30

▸	MMP8	P22894	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
SCHEMBL17526955	0.92	BACE1 (0.41)	BACE1CTSDCTSEABCB1
SCHEMBL18737337	0.90	BACE1 (0.39)	BACE1CTSDCTSEABCB1MMP2
SCHEMBL27742237	0.86	BACE1 (0.39)	BACE1CTSDCTSEABCB1
SCHEMBL18463911	0.82	BACE1 (0.37)	BACE1CTSDCTSEABCB1
SCHEMBL1709985	0.82	BACE1 (0.38)	BACE1CTSDCTSEABCB1
SCHEMBL23110215	0.82	CTSD (0.32)	BACE1CTSDCTSEMMP9
SCHEMBL18500173	0.82	CTSD (0.32)	BACE1CTSDCTSEMMP9
SCHEMBL22966090	0.81	BACE1 (0.35)	BACE1CTSDCTSEABCB1MMP2
SCHEMBL18520248	0.81	CTSD (0.33)	BACE1CTSDCTSE
SCHEMBL27838626	0.81	BACE1 (0.36)	BACE1CTSDCTSEABCB1

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
WO-2021049633-A1	DRUG FOR CURATIVE THERAPY OF INTRACTABLE HEREDITARY RENAL ALPORT SYNDROME	国立大学法人熊本大学	2021-03-18	—	—	WO	disclosed