SCHEMBL13448807

CC(=O)O[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCCCC2)[C@@H]2C(c3c[nH]c4cc(F)ccc34)CN(C(=O)OCc3ccccc3)[C@@H]21

nearest known ligand 0.40

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CTSL	P07711	1/20	0.40

▸	PDE4B	Q07343	1/20	0.35

▸	KLK7	P49862	1/20	0.35

▸	TGM2	P21980	1/20	0.35

▸	CACNA1B	Q00975	4/20	0.34

▸	ITGB3	P05106	1/20	0.33

▸	ITGA2B	P08514	1/20	0.33

▸	CTSB	P07858	1/20	0.33

▸	CTSS	P25774	1/20	0.33

▸	CTSK	P43235	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
SCHEMBL12299720	1.00	CTSL (0.40)	CTSLPDE4BKLK7TGM2CACNA1B
SCHEMBL12299680	0.91	CTSL (0.43)	CTSLPDE4BKLK7TGM2CACNA1B
SCHEMBL12299586	0.88	CTSL (0.44)	CTSLPDE4BTGM2ITGB3ITGA2B
SCHEMBL2446120	0.88	CTSL (0.44)	CTSLPDE4BTGM2ITGB3ITGA2B
SCHEMBL12299722	0.87	DPP4 (0.36)	TGM2CTSBCTSSCTSK
SCHEMBL2439534	0.87	BACE1 (0.38)	KLK7TGM2CTSBCTSSCTSK
SCHEMBL12299709	0.87	BACE1 (0.38)	KLK7TGM2CTSBCTSSCTSK
SCHEMBL12299725	0.87	TGM2 (0.33)	CTSLTGM2CTSBCTSSCTSK
SCHEMBL2446124	0.83	CTSL (0.42)	CTSLPDE4BKLK7TGM2CACNA1B
SCHEMBL12299684	0.82	CTSL (0.34)	CTSLPDE4BTGM2

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-2010033531-A1	IAP INHIBITORS	TETRALOGIC PHARMACEUTICALS CORP. (US)	2010-03-25	—	—	WO	disclosed