SCHEMBL9754465

COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC[C@H](O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(C)C)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CTSD	P07339	4/20	0.64

▸	REN	P00797	3/20	0.64

▸	KLK5	Q9Y337	1/20	0.59

▸	PSEN1	P49768	6/20	0.54

▸	PSEN2	P49810	6/20	0.54

▸	APH1B	Q8WW43	6/20	0.54

▸	NCSTN	Q92542	6/20	0.54

▸	APH1A	Q96BI3	6/20	0.54

▸	PSENEN	Q9NZ42	6/20	0.54

▸	BACE1	P56817	2/20	0.49

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
SCHEMBL7321304	0.84	CTSD (0.59)	CTSDRENKLK5
SCHEMBL7331052	0.84	CTSD (0.63)	CTSDRENKLK5BACE1
SCHEMBL7323826	0.83	REN (0.46)	CTSDRENKLK5PSEN1PSEN2
SCHEMBL7329209	0.83	CTSD (0.64)	CTSDRENKLK5BACE1
SCHEMBL7321482	0.80	CTSD (0.65)	CTSDRENKLK5BACE1
SCHEMBL7326637	0.79	CTSD (0.47)	CTSDRENBACE1
SCHEMBL7326624	0.79	CTSD (0.47)	CTSDRENBACE1
SCHEMBL7324608	0.79	CTSD (0.57)	CTSDRENKLK5PSEN1PSEN2
SCHEMBL28474065	0.78	CTSD (1.00)	CTSDRENPSEN1PSEN2APH1B
SCHEMBL16296340	0.78	CTSD (1.00)	CTSDRENPSEN1PSEN2APH1B

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-1991015121-A1	METHOD FOR TREATING FUNGAL INFECTION	SMITHKLINE BEECHAM CORPORATION (US)	1991-10-17	—	—	WO	claimed
WO-1991015121-A1	METHOD FOR TREATING FUNGAL INFECTION	SMITHKLINE BEECHAM CORPORATION (US)	1991-10-17	—	—	WO	disclosed