SCHEMBL9699796

CC(C)C[C@@H]([C@H]1OC(C)(C)O[C@@H]1[C@H](CC(C)C)N(NC(=O)OCc1ccccc1)C(=O)[C@H](C)N)N(NC(=O)OCc1ccccc1)C(=O)[C@H](C)N

nearest known ligand 0.41

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	CTSK	P43235	8/20	0.41

▸	CTSS	P25774	4/20	0.41

▸	CTSL	P07711	3/20	0.41

▸	CTSB	P07858	2/20	0.41

▸	NAAA	Q02083	2/20	0.39

▸	ALDH1A1	P00352	1/20	0.39

▸	CYP3A4	P08684	1/20	0.39

▸	TSHR	P16473	1/20	0.39

▸	SLC1A3	P43003	1/20	0.39

▸	SLC1A1	P43005	1/20	0.39

▸	MEN1	O00255	1/20	0.38

▸	LMNA	P02545	1/20	0.38

▸	KMT2A	Q03164	1/20	0.38

▸	HSP90AA1	P07900	1/20	0.38

▸	HSP90AB1	P08238	1/20	0.38

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
SCHEMBL9364447	0.81	LNPEP (0.40)	CTSKCTSSCTSLCTSBNAAA
SCHEMBL9364872	0.81	NAAA (0.38)	CTSKCTSSCTSLCTSBNAAA
SCHEMBL9365216	0.78	CTSK (0.46)	CTSKCTSSCTSLCTSBSLC1A3
SCHEMBL9699824	0.71	SLC15A1 (0.41)	CTSKCTSSCTSLCTSBNAAA
SCHEMBL9364548	0.70	CTSK (0.45)	CTSKCTSSCTSLCTSBSLC1A3
SCHEMBL29111526	0.69	CTSK (0.56)	CTSKCTSSCTSLCTSBMEN1
SCHEMBL27450496	0.68	CTSK (0.57)	CTSKCTSSCTSLCTSBSLC1A3
SCHEMBL8408312	0.68	CTSK (0.61)	CTSKCTSSCTSLCTSBSLC1A3
SCHEMBL6703437	0.68	CTSK (0.54)	CTSKCTSSCTSLCTSBSLC1A3
SCHEMBL6984142	0.68	CTSK (0.57)	CTSKCTSSCTSLCTSBSLC1A3

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
WO-1992000948-A1	INHIBITORS OF RETROVIRAL PROTEASES	SMITHKLINE BEECHAM CORPORATION (US)	1992-01-23	—	—	WO	disclosed