SCHEMBL13287918

C/C(=N/O)C(C)(C)NCCN(CCNC(=O)CCC(=O)NCCCC[C@H]1NC(=O)CSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]2CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)NC(=O)[C@H](CC(=O)O)NC1=O)CCNC(C)(C)/C(C)=N\O

nearest known ligand 0.47

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	ALB	P02768	1/20	0.47

▸	PLAU	P00749	3/20	0.46

▸	KLKB1	P03952	5/20	0.45

▸	KLK7	P49862	2/20	0.45

▸	CTSG	P08311	2/20	0.44

▸	TSLP	Q969D9	1/20	0.43

▸	F12	P00748	1/20	0.42

▸	EPHA2	P29317	1/20	0.42

▸	F11	P03951	2/20	0.42

▸	F10	P00742	1/20	0.42

▸	KLK1	P06870	1/20	0.42

▸	KLK2	P20151	1/20	0.42

▸	KLK14	Q9P0G3	1/20	0.42

▸	KLK13	Q9UKR3	1/20	0.42

▸	KLK5	Q9Y337	1/20	0.42

▸	ST14	Q9Y5Y6	1/20	0.42

▸	SSTR1	P30872	2/20	0.41

▸	SSTR2	P30874	2/20	0.41

▸	SSTR4	P31391	2/20	0.41

▸	SSTR3	P32745	2/20	0.41

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
SCHEMBL13287950	0.99	ALB (0.46)	ALBPLAUKLKB1KLK7CTSG
SCHEMBL12085211	0.92	ALB (0.44)	ALBPLAUKLKB1KLK7CTSG
SCHEMBL13287937	0.91	ALB (0.44)	ALBPLAUKLK7CTSGTSLP
SCHEMBL13113566	0.87	SSTR2 (0.50)	ALBPLAUKLKB1KLK7CTSG
SCHEMBL13287941	0.86	SSTR2 (0.50)	ALBPLAUKLKB1KLK7CTSG
SCHEMBL12082795	0.81	IL23R (0.52)	PLAUCTSGTSLPF12EPHA2
SCHEMBL13113585	0.81	PLAU (0.51)	PLAUKLKB1KLK7CTSGTSLP
SCHEMBL16349705	0.80	SSTR2 (0.47)	PLAUKLKB1KLK7CTSGSSTR1
SCHEMBL16351098	0.79	AVPR2 (0.34)	ALBPLAUKLKB1KLK7TSLP
SCHEMBL13649552	0.78	MDM2 (0.51)	ALBPLAUKLK7CTSGTNFSF11

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
US-7737252-B2	Peptide-based compounds	GE HEALTHCARE AS (NO)	2010-06-15	—	—	US	disclosed