SCHEMBL14478093

NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@H](Cc1ccccc1F)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	APC	P25054	3/20	0.44

▸	FOLH1	Q04609	1/20	0.42

▸	KEAP1	Q14145	4/20	0.41

▸	CCKBR	P32239	5/20	0.41

▸	MME	P08473	1/20	0.41

▸	LCK	P06239	2/20	0.39

▸	CCKAR	P32238	1/20	0.39

▸	CTNNB1	P35222	1/20	0.39

▸	SSTR3	P32745	1/20	0.39

▸	QRFPR	Q96P65	1/20	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
SCHEMBL14478087	0.90	APC (0.43)	APCFOLH1KEAP1MMECTNNB1
SCHEMBL14478152	0.88	APC (0.51)	APCFOLH1CCKBRMME
SCHEMBL14478026	0.87	LCK (0.53)	APCKEAP1CCKBRLCKCCKAR
SCHEMBL14478086	0.83	MME (0.43)	APCFOLH1KEAP1MMECTNNB1
SCHEMBL14478149	0.83	APC (0.54)	APCKEAP1MMEQRFPR
SCHEMBL14478103	0.81	APC (0.60)	APCCCKBR
SCHEMBL14478105	0.78	OPRD1 (0.57)	APCCCKBRLCKCCKAR
SCHEMBL14478119	0.73	CCKBR (0.57)	CCKBRCCKAR
SCHEMBL13944977	0.72	FOLH1 (0.47)	FOLH1
SCHEMBL6804098	0.72	PTPN1 (0.65)	FOLH1

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-2013001297-A1	BINDING INHIBITORS OF THE BETA.TRANSDUCIN REPEAT - CONTAINING PROTEIN	ITI SCOTLAND LIMITED (GB)	2013-01-03	—	—	WO	disclosed