SCHEMBL20979804

C=C[C@@H](OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](Cc1ccc(N2CCOCC2)cc1)OC(=O)[C@H](CC(C)C)NC)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](Cc1ccc(N2CCOCC2)cc1)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 18)

	gene	UniProt	supporting neighbours	confidence
▸	CTSL	P07711	3/20	0.37

▸	CTSK	P43235	3/20	0.37

▸	ACACB	O00763	1/20	0.33

▸	SYK	P43405	1/20	0.33

▸	REN	P00797	1/20	0.31

▸	CTSS	P25774	2/20	0.31

▸	ALDH1A1	P00352	2/20	0.31

▸	CTSB	P07858	1/20	0.31

▸	CDK2	P24941	1/20	0.31

▸	PSEN1	P49768	1/20	0.30

▸	PSEN2	P49810	1/20	0.30

▸	APH1B	Q8WW43	1/20	0.30

▸	NCSTN	Q92542	1/20	0.30

▸	APH1A	Q96BI3	1/20	0.30

▸	PSENEN	Q9NZ42	1/20	0.30

▸	GAA	P10253	1/20	0.30

▸	MME	P08473	1/20	0.30

▸	MAPT	P10636	1/20	0.30

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
SCHEMBL20979763	0.93	CTSL (0.37)	CTSLCTSKACACBSYKCTSS
SCHEMBL20979888	0.92	CTSL (0.40)	CTSLCTSKACACBSYKREN
SCHEMBL23295228	0.92	CTSL (0.40)	CTSLCTSKACACBSYKREN
SCHEMBL23323960	0.89	CTSL (0.40)	CTSLCTSKACACBSYKREN
SCHEMBL23323476	0.88	CTSL (0.36)	CTSLCTSKACACBSYKREN
SCHEMBL23325354	0.88	CTSL (0.37)	CTSLCTSKACACBSYKREN
SCHEMBL20979758	0.87	CTSL (0.41)	CTSLCTSKACACBSYKREN
SCHEMBL20979761	0.86	CTSL (0.39)	CTSLCTSKACACBSYKREN
SCHEMBL19066715	0.84	REN (0.38)	CTSLCTSKACACBREN
SCHEMBL28772188	0.84	REN (0.38)	CTSLCTSKACACBREN

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
EP-3480195-A1	METHOD FOR THE SYNTHESIS OF CYCLIC DEPSIPEPTIDES	Bayer Animal Health GmbH (DE)	2019-05-08	—	—	EP	disclosed