SCHEMBL19682188

CC(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CS)C(N)=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 0.44

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	KLKB1	P03952	1/20	0.44

▸	TNFSF11	O14788	1/20	0.43

▸	PLAU	P00749	3/20	0.41

▸	SIRT2	Q8IXJ6	6/20	0.41

▸	SIRT1	Q96EB6	6/20	0.41

▸	SIRT3	Q9NTG7	6/20	0.41

▸	CACNA1B	Q00975	1/20	0.40

▸	KEAP1	Q14145	1/20	0.39

▸	CTSG	P08311	2/20	0.39

▸	F11	P03951	1/20	0.38

▸	GNAI1	P63096	1/20	0.38

▸	NPR1	P16066	1/20	0.38

▸	NPR3	P17342	1/20	0.38

▸	KRAS	P01116	1/20	0.38

▸	TSLP	Q969D9	1/20	0.37

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
SCHEMBL19682207	0.93	KLKB1 (0.43)	KLKB1TNFSF11PLAUSIRT2SIRT1
SCHEMBL19682205	0.91	KLKB1 (0.43)	KLKB1TNFSF11PLAUSIRT2SIRT1
SCHEMBL19682189	0.88	KLKB1 (0.45)	KLKB1PLAUCACNA1BKEAP1CTSG
SCHEMBL29886484	0.74	TEAD4 (0.51)	PLAUKEAP1KRAS
SCHEMBL12518412	0.72	ITGB3 (0.44)	KLKB1SIRT2SIRT1SIRT3
SCHEMBL19682190	0.72	SIRT2 (0.39)	KLKB1PLAUSIRT2SIRT1SIRT3
SCHEMBL13857315	0.71	KEAP1 (0.50)	CACNA1BKEAP1TSLP
SCHEMBL25455153	0.68	PLAU (0.47)	KLKB1TNFSF11PLAUCACNA1BKEAP1
SCHEMBL13857316	0.68	KEAP1 (0.55)	KEAP1TSLP
SCHEMBL13857313	0.68	KEAP1 (0.55)	CACNA1BKEAP1TSLP

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