SCHEMBL7394205

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	CAPN1	P07384	2/20	0.71

▸	CTSK	P43235	7/20	0.65

▸	CTSB	P07858	5/20	0.65

▸	REN	P00797	3/20	0.62

▸	HTRA1	Q92743	1/20	0.58

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
SCHEMBL29544461	0.90	CTSK (0.61)	CAPN1CTSKCTSBREN
SCHEMBL7327620	0.89	CAPN1 (0.64)	CAPN1CTSKCTSBREN
SCHEMBL11603877	0.88	CAPN1 (0.68)	CAPN1CTSKCTSBREN
SCHEMBL6182855	0.85	CTSS (0.76)	CAPN1CTSKCTSBHTRA1
SCHEMBL25285647	0.85	CTSK (0.65)	CAPN1CTSKCTSB
SCHEMBL11338445	0.85	CTSK (0.65)	CAPN1CTSKCTSB
SCHEMBL15926428	0.85	CTSK (0.65)	CAPN1CTSKCTSB
SCHEMBL25251125	0.85	CTSK (0.65)	CAPN1CTSKCTSB
SCHEMBL14148466	0.85	CTSK (0.65)	CAPN1CTSKCTSB
SCHEMBL8823914	0.85	CAPN1 (0.78)	CAPN1CTSKCTSB

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-5811389-A	INHIBITING PLATELET AGGREGATION; BLOOD DISORDERS	HOFFMANN-LA ROCHE INC. (US)	1998-09-22	—	—	US	disclosed
US-5811548-A	USEFUL AS RESEARCH TOOLS IN THE DETERMINATION OF BIOLOGICALLY ACTIVE PEPTIDE SEQUENCES	HOFFMANN-LA ROCHE INC. (US)	1998-09-22	—	—	US	disclosed
EP-0592791-A2	Tricyclic compounds and peptide derivatives thereof	F. HOFFMANN-LA ROCHE AG (CH)	1994-04-20	—	—	EP	disclosed