SCHEMBL9011676

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

nearest known ligand 0.53

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CTSL	P07711	5/20	0.53

▸	CTSS	P25774	5/20	0.53

▸	CTSB	P07858	4/20	0.53

▸	CTSK	P43235	3/20	0.53

▸	CTSD	P07339	2/20	0.48

▸	ECE1	P42892	3/20	0.45

▸	CA2	P00918	1/20	0.44

▸	CA5A	P35218	1/20	0.44

▸	MME	P08473	1/20	0.44

▸	CTRB1	P17538	2/20	0.44

▸	MEN1	O00255	1/20	0.44

▸	LMNA	P02545	1/20	0.44

▸	KMT2A	Q03164	1/20	0.44

▸	TRPM8	Q7Z2W7	1/20	0.43

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
SCHEMBL9011720	1.00	CTSL (0.53)	CTSLCTSSCTSBCTSKCTSD
SCHEMBL9011935	0.96	CTSL (0.50)	CTSLCTSSCTSBCTSKCTSD
SCHEMBL9011684	0.90	LTA4H (0.48)	CTSLCTSSCTSBCTSKCTSD
SCHEMBL9011869	0.84	CTSL (0.49)	CTSLCTSSCTSBCTSKMEN1
SCHEMBL9011687	0.84	CTSL (0.49)	CTSLCTSSCTSBCTSKCTSD
SCHEMBL9011900	0.84	CTSL (0.49)	CTSLCTSSCTSBCTSKCTSD
SCHEMBL9011683	0.83	CTSL (0.48)	CTSLCTSSCTSBCTSKCTSD
SCHEMBL7342149	0.81	CTSD (0.68)	CTSLCTSSCTSDECE1CA2
SCHEMBL6448595	0.80	CTSD (0.69)	CTSLCTSSCTSBCTSKCTSD
SCHEMBL9012035	0.80	CTSL (0.46)	CTSLCTSSCTSBCTSKCTSD

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