SCHEMBL9011683

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

nearest known ligand 0.48

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CTSL	P07711	6/20	0.48

▸	CTSS	P25774	5/20	0.48

▸	CTSB	P07858	5/20	0.48

▸	CTSK	P43235	4/20	0.48

▸	CTSD	P07339	2/20	0.41

▸	ELANE	P08246	1/20	0.41

▸	PRTN3	P24158	1/20	0.41

▸	CA2	P00918	1/20	0.41

▸	CA5A	P35218	1/20	0.41

▸	MEN1	O00255	3/20	0.40

▸	KMT2A	Q03164	3/20	0.40

▸	LMNA	P02545	2/20	0.40

▸	CA1	P00915	1/20	0.40

▸	ECE1	P42892	1/20	0.40

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
SCHEMBL9011687	0.86	CTSL (0.49)	CTSLCTSSCTSBCTSKCTSD
SCHEMBL9011900	0.86	CTSL (0.49)	CTSLCTSSCTSBCTSKCTSD
SCHEMBL9011720	0.83	CTSL (0.53)	CTSLCTSSCTSBCTSKCTSD
SCHEMBL9011676	0.83	CTSL (0.53)	CTSLCTSSCTSBCTSKCTSD
SCHEMBL9012035	0.82	CTSL (0.46)	CTSLCTSSCTSBCTSKCTSD
SCHEMBL9011935	0.80	CTSL (0.50)	CTSLCTSSCTSBCTSKCTSD
SCHEMBL9011869	0.79	CTSL (0.49)	CTSLCTSSCTSBCTSKMEN1
SCHEMBL9011708	0.75	CTSB (0.44)	CTSLCTSSCTSBCTSKELANE
SCHEMBL9011684	0.75	LTA4H (0.48)	CTSLCTSSCTSBCTSKCTSD
SCHEMBL15130921	0.72	CTSL (0.72)	CTSLCTSSCTSBCTSKELANE

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-5545750-A	TREATING HUMAN IMMUNODEFICIENCY VIRUS	ABBOTT LABORATORIES (US)	1996-08-13	—	—	US	disclosed