SCHEMBL10907982

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)N[C@@H](C)C(=O)NC(=O)Cc1ccccn1)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	CASP3	P42574	1/20	0.51

▸	CASP7	P55210	1/20	0.51

▸	REN	P00797	4/20	0.51

▸	CTSB	P07858	6/20	0.49

▸	CTSK	P43235	6/20	0.49

▸	CAPN1	P07384	2/20	0.48

▸	HTRA1	Q92743	1/20	0.47

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
SCHEMBL10909457	0.95	REN (0.54)	RENCTSBCTSKCAPN1HTRA1
SCHEMBL10907853	0.93	CTSB (0.54)	CASP3CASP7RENCTSBCTSK
SCHEMBL10905521	0.90	CTSK (0.56)	RENCTSBCTSKCAPN1
SCHEMBL10908638	0.90	CTSK (0.57)	CASP3CASP7RENCTSBCTSK
SCHEMBL10908206	0.87	REN (0.50)	RENCTSBCTSKCAPN1HTRA1
SCHEMBL10908060	0.84	CTSK (0.51)	CASP3CASP7RENCTSBCTSK
SCHEMBL10909559	0.84	CTSK (0.51)	CASP3CASP7RENCTSBCTSK
SCHEMBL10905777	0.82	CTSK (0.49)	RENCTSBCTSKCAPN1HTRA1
SCHEMBL10909792	0.82	CTSB (0.55)	CASP3CASP7RENCTSBCTSK
SCHEMBL10908721	0.82	CTSK (0.57)	CASP3CASP7RENCTSBCTSK

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