SCHEMBL13287937

C/C(=N/O)C(C)(C)NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CNC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSCC(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)CCNC(C)(C)/C(C)=N\O

nearest known ligand 0.44

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	ALB	P02768	1/20	0.44

▸	CTSG	P08311	2/20	0.43

▸	PLAU	P00749	2/20	0.43

▸	TSLP	Q969D9	1/20	0.43

▸	IL23R	Q5VWK5	4/20	0.42

▸	PRLHR	P49683	6/20	0.41

▸	SSTR1	P30872	1/20	0.41

▸	SSTR2	P30874	1/20	0.41

▸	SSTR4	P31391	1/20	0.41

▸	SSTR3	P32745	1/20	0.41

▸	SSTR5	P35346	1/20	0.41

▸	KLK7	P49862	1/20	0.41

▸	CHRNA7	P36544	1/20	0.40

▸	CHRNA10	Q9GZZ6	1/20	0.40

▸	CHRNA9	Q9UGM1	1/20	0.40

▸	TNFSF11	O14788	1/20	0.40

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	0.91	ALB (0.46)	ALBCTSGPLAUTSLPSSTR1
SCHEMBL13287918	0.91	ALB (0.47)	ALBCTSGPLAUTSLPSSTR1
SCHEMBL12085211	0.88	ALB (0.44)	ALBCTSGPLAUTSLPSSTR1
SCHEMBL14096859	0.81	ITGB3 (0.50)	ALBCTSGPLAUTSLP
SCHEMBL13287941	0.78	SSTR2 (0.50)	ALBCTSGPLAUIL23RSSTR1
SCHEMBL13113566	0.78	SSTR2 (0.50)	ALBCTSGPLAUIL23RSSTR1
SCHEMBL16325464	0.77	ALB (0.46)	ALBCTSGPLAUTSLPSSTR1
SCHEMBL13113585	0.77	PLAU (0.51)	CTSGPLAUTSLPSSTR1SSTR2
SCHEMBL16349705	0.75	SSTR2 (0.47)	CTSGPLAUSSTR1SSTR2SSTR4
SCHEMBL12082795	0.75	IL23R (0.52)	CTSGPLAUTSLPIL23RSSTR1

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