SCHEMBL19682189

CC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC1=O

nearest known ligand 0.45

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	KLKB1	P03952	3/20	0.45

▸	CACNA1B	Q00975	1/20	0.43

▸	PLAU	P00749	2/20	0.42

▸	KEAP1	Q14145	1/20	0.42

▸	ITGB3	P05106	8/20	0.41

▸	ITGA2B	P08514	8/20	0.41

▸	SSTR1	P30872	1/20	0.40

▸	SSTR2	P30874	1/20	0.40

▸	SSTR4	P31391	1/20	0.40

▸	SSTR3	P32745	1/20	0.40

▸	SSTR5	P35346	1/20	0.40

▸	CTSG	P08311	1/20	0.39

▸	TSLP	Q969D9	3/20	0.39

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
SCHEMBL19682188	0.88	KLKB1 (0.44)	KLKB1CACNA1BPLAUKEAP1CTSG
SCHEMBL19682205	0.88	KLKB1 (0.43)	KLKB1CACNA1BPLAUKEAP1CTSG
SCHEMBL19682207	0.87	KLKB1 (0.43)	KLKB1CACNA1BPLAUKEAP1CTSG
SCHEMBL12518412	0.77	ITGB3 (0.44)	KLKB1ITGB3ITGA2B
SCHEMBL19682190	0.77	SIRT2 (0.39)	KLKB1CACNA1BPLAUITGB3ITGA2B
SCHEMBL18767060	0.75	TNFSF11 (0.48)	CACNA1BPLAUKEAP1ITGB3ITGA2B
SCHEMBL13857315	0.74	KEAP1 (0.50)	CACNA1BKEAP1TSLP
SCHEMBL22928947	0.74	ITGB3 (0.53)	ITGB3ITGA2B
SCHEMBL20910081	0.74	CACNA1B (0.69)	CACNA1BPLAUSSTR1SSTR2SSTR4
SCHEMBL13857316	0.73	KEAP1 (0.55)	KEAP1TSLP

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-2017210246-A2	PENICILLAMINE CONJUGATES AND PARTICLES AND FORMULATIONS THEREOF	TARVEDA THERAPEUTICS, INC. (US)	2017-12-07	—	—	WO	disclosed