SCHEMBL14478087

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

nearest known ligand 0.43

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	APC	P25054	3/20	0.43

▸	FOLH1	Q04609	1/20	0.42

▸	MME	P08473	2/20	0.42

▸	KEAP1	Q14145	4/20	0.40

▸	SYK	P43405	4/20	0.40

▸	F2RL1	P55085	1/20	0.39

▸	L3MBTL1	Q9Y468	1/20	0.39

▸	PTPN1	P18031	1/20	0.39

▸	CTNNB1	P35222	1/20	0.38

▸	QRFPR	Q96P65	1/20	0.38

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
SCHEMBL14478152	0.92	APC (0.51)	APCFOLH1MME
SCHEMBL14478093	0.90	APC (0.44)	APCFOLH1MMEKEAP1CTNNB1
SCHEMBL14478086	0.88	MME (0.43)	APCFOLH1MMEKEAP1F2RL1
SCHEMBL14478149	0.83	APC (0.54)	APCMMEKEAP1PTPN1QRFPR
SCHEMBL14478103	0.81	APC (0.60)	APC
SCHEMBL14478026	0.76	LCK (0.53)	APCKEAP1SYKPTPN1CTNNB1
SCHEMBL14478105	0.74	OPRD1 (0.57)	APC
SCHEMBL14478126	0.73	APC (0.42)	APCFOLH1KEAP1PTPN1
SCHEMBL20187246	0.72	CA2 (0.49)	MMEL3MBTL1
SCHEMBL18228976	0.72	CA2 (0.49)	MMEL3MBTL1

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