SCHEMBL10909782

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)NC(=O)CCCCCCC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	REN	P00797	7/20	0.48

▸	CTSB	P07858	2/20	0.46

▸	CTSK	P43235	2/20	0.46

▸	CAPN1	P07384	2/20	0.45

▸	HTRA1	Q92743	1/20	0.44

▸	CTSD	P07339	1/20	0.44

▸	PSEN1	P49768	2/20	0.44

▸	PSEN2	P49810	2/20	0.44

▸	APH1B	Q8WW43	2/20	0.44

▸	NCSTN	Q92542	2/20	0.44

▸	APH1A	Q96BI3	2/20	0.44

▸	PSENEN	Q9NZ42	2/20	0.44

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
SCHEMBL10907948	0.98	REN (0.48)	RENCTSBCTSKCAPN1HTRA1
SCHEMBL10908003	0.95	REN (0.52)	RENCTSDPSEN1PSEN2APH1B
SCHEMBL10909559	0.92	CTSK (0.51)	RENCTSBCTSKCAPN1HTRA1
SCHEMBL10905626	0.92	REN (0.46)	RENCTSBCTSKCAPN1HTRA1
SCHEMBL11010387	0.91	CTSL (0.44)	RENCTSBCTSK
SCHEMBL10908060	0.90	CTSK (0.51)	RENCTSBCTSKCAPN1HTRA1
SCHEMBL11009169	0.89	CTSL (0.44)	RENCTSBCTSK
SCHEMBL10907861	0.88	CTSK (0.58)	RENCTSBCTSKCAPN1CTSD
SCHEMBL10908231	0.87	CTSK (0.47)	RENCTSBCTSKCAPN1HTRA1
SCHEMBL10908191	0.86	CTSK (0.59)	RENCTSBCTSKCAPN1CTSD

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-4613676-A	PEPTIDES	CIBA-GEIGY CORPORATION (US)	1986-09-23	—	—	US	disclosed