SCHEMBL10909792

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(C)C)C(=O)NC(=O)c1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	CTSB	P07858	9/20	0.55

▸	CTSK	P43235	9/20	0.55

▸	REN	P00797	6/20	0.51

▸	CTSD	P07339	2/20	0.47

▸	CASP3	P42574	1/20	0.47

▸	CASP7	P55210	1/20	0.47

▸	HTRA1	Q92743	1/20	0.46

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
SCHEMBL11006634	0.94	REN (0.49)	CTSBCTSKRENCASP3CASP7
SCHEMBL10907853	0.90	CTSB (0.54)	CTSBCTSKRENCTSDCASP3
SCHEMBL10908555	0.89	CTSK (0.59)	CTSBCTSKRENCTSD
SCHEMBL10873209	0.89	CTSK (0.50)	CTSBCTSKHTRA1
SCHEMBL10909548	0.87	CTSB (0.53)	CTSBCTSKRENCTSD
SCHEMBL10908701	0.83	CTSB (0.57)	CTSBCTSKRENCASP3CASP7
SCHEMBL10908290	0.83	CTSK (0.52)	CTSBCTSKRENCTSD
SCHEMBL10907982	0.82	CASP3 (0.51)	CTSBCTSKRENCASP3CASP7
SCHEMBL10908060	0.82	CTSK (0.51)	CTSBCTSKRENCASP3CASP7
SCHEMBL10909559	0.81	CTSK (0.51)	CTSBCTSKRENCASP3CASP7

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