SCHEMBL20979796

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

nearest known ligand 0.38

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	CTSB	P07858	2/20	0.38

▸	CTSK	P43235	2/20	0.34

▸	CTSL	P07711	1/20	0.34

▸	CTSS	P25774	1/20	0.34

▸	MMP2	P08253	1/20	0.34

▸	MMP9	P14780	1/20	0.34

▸	CA12	O43570	1/20	0.34

▸	CA2	P00918	1/20	0.34

▸	CA7	P43166	1/20	0.34

▸	CA9	Q16790	1/20	0.34

▸	CA14	Q9ULX7	1/20	0.34

▸	ALDH1A1	P00352	2/20	0.34

▸	MEN1	O00255	1/20	0.34

▸	NPC1	O15118	1/20	0.34

▸	KMT2A	Q03164	1/20	0.34

▸	BIRC2	Q13490	1/20	0.33

▸	ANPEP	P15144	1/20	0.33

▸	MME	P08473	1/20	0.33

▸	POLB	P06746	1/20	0.33

▸	MAPT	P10636	1/20	0.33

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
SCHEMBL20979862	0.90	MMP2 (0.38)	CTSBCTSKCTSLCTSSMMP2
SCHEMBL23323457	0.90	MMP2 (0.38)	CTSBCTSKCTSLCTSSMMP2
SCHEMBL20979822	0.88	MMP2 (0.39)	CTSBCTSKCTSLCTSSMMP2
SCHEMBL20979759	0.83	CAPN1 (0.35)	CTSBCTSKCTSLCTSSMMP2
SCHEMBL26542735	0.83	CTSK (0.35)	CTSKCTSLMMP2MMP9ALDH1A1
SCHEMBL26543946	0.82	CTSK (0.44)	CTSBCTSKCTSLCTSSALDH1A1
SCHEMBL26362964	0.79	MAPT (0.32)	MMP2MMP9NPC1MAPT
SCHEMBL20979806	0.79	MMP9 (0.44)	CTSBCTSKCTSLCTSSMMP2
SCHEMBL22391189	0.78	NPC1 (0.40)	CTSBCTSKCTSLCTSSNPC1
SCHEMBL22391188	0.78	NPC1 (0.40)	CTSBCTSKCTSLCTSSNPC1

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