SCHEMBL16882196

C[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	WDR5	P61964	1/20	0.55

▸	ALB	P02768	2/20	0.54

▸	HTRA2	O43464	8/20	0.52

▸	HTRA1	Q92743	8/20	0.52

▸	FOLH1	Q04609	2/20	0.47

▸	USP2	O75604	1/20	0.44

▸	L3MBTL1	Q9Y468	1/20	0.44

▸	CA9	Q16790	1/20	0.44

▸	PRKACA	P17612	1/20	0.44

▸	ESR1	P03372	1/20	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
SCHEMBL12903760	0.97	WDR5 (0.55)	WDR5ALBHTRA2HTRA1FOLH1
SCHEMBL18231335	0.89	WDR5 (0.53)	WDR5ALBHTRA2HTRA1FOLH1
SCHEMBL15470509	0.82	WDR5 (0.62)	WDR5ALBHTRA2HTRA1FOLH1
SCHEMBL17897315	0.81	ALB (0.69)	ALBHTRA2HTRA1FOLH1USP2
SCHEMBL18231322	0.81	WDR5 (0.50)	WDR5ALBHTRA2HTRA1FOLH1
SCHEMBL15470452	0.80	WDR5 (0.60)	WDR5ALBHTRA2HTRA1FOLH1
SCHEMBL1687874	0.78	HTRA2 (0.55)	WDR5ALBHTRA2HTRA1FOLH1
SCHEMBL15130552	0.78	USP2 (0.62)	ALBHTRA2HTRA1FOLH1USP2
SCHEMBL21766803	0.78	WDR5 (0.61)	WDR5ALBHTRA2HTRA1FOLH1
SCHEMBL17758737	0.77	ALB (0.60)	ALBHTRA2HTRA1FOLH1USP2

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-9072761-B2	Methods and compositions related to viral inhibition	CLEMSON UNIVERSITY RESEARCH FOUNDATION (CURF) (US)	2015-07-07	—	—	US	disclosed