SCHEMBL9011869

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

nearest known ligand 0.49

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CTSL	P07711	5/20	0.49

▸	CTSS	P25774	5/20	0.49

▸	CTSB	P07858	3/20	0.49

▸	CTSK	P43235	2/20	0.49

▸	SIRT2	Q8IXJ6	6/20	0.43

▸	SIRT1	Q96EB6	4/20	0.42

▸	LNPEP	Q9UIQ6	1/20	0.42

▸	MEN1	O00255	2/20	0.42

▸	KMT2A	Q03164	2/20	0.42

▸	LMNA	P02545	1/20	0.42

▸	SIRT3	Q9NTG7	3/20	0.42

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
SCHEMBL9011676	0.84	CTSL (0.53)	CTSLCTSSCTSBCTSKMEN1
SCHEMBL9011720	0.84	CTSL (0.53)	CTSLCTSSCTSBCTSKMEN1
SCHEMBL9011900	0.81	CTSL (0.49)	CTSLCTSSCTSBCTSKMEN1
SCHEMBL9011935	0.80	CTSL (0.50)	CTSLCTSSCTSBCTSKLNPEP
SCHEMBL9011687	0.80	CTSL (0.49)	CTSLCTSSCTSBCTSKMEN1
SCHEMBL9011683	0.79	CTSL (0.48)	CTSLCTSSCTSBCTSKMEN1
SCHEMBL29230104	0.76	SIRT2 (0.51)	CTSLCTSSCTSBCTSKSIRT2
SCHEMBL9012035	0.76	CTSL (0.46)	CTSLCTSSCTSBCTSK
SCHEMBL9011684	0.76	LTA4H (0.48)	CTSLCTSSCTSBCTSKMEN1
SCHEMBL9369693	0.74	CTSL (0.44)	CTSLCTSSCTSBCTSKLNPEP

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