SCHEMBL14478026

COc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2F)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(N)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	LCK	P06239	3/20	0.53

▸	APC	P25054	3/20	0.47

▸	CCKBR	P32239	6/20	0.45

▸	CCKAR	P32238	3/20	0.45

▸	SYK	P43405	1/20	0.43

▸	MMP1	P03956	1/20	0.43

▸	KEAP1	Q14145	2/20	0.43

▸	CTNNB1	P35222	1/20	0.42

▸	OPRM1	P35372	1/20	0.42

▸	OPRD1	P41143	1/20	0.42

▸	ATM	Q13315	1/20	0.42

▸	PTPN1	P18031	1/20	0.42

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
SCHEMBL14478093	0.87	APC (0.44)	LCKAPCCCKBRCCKARKEAP1
SCHEMBL14478149	0.84	APC (0.54)	APCMMP1KEAP1PTPN1
SCHEMBL14478103	0.81	APC (0.60)	APCCCKBROPRM1OPRD1
SCHEMBL14478105	0.79	OPRD1 (0.57)	LCKAPCCCKBRCCKAROPRD1
SCHEMBL14478087	0.76	APC (0.43)	APCSYKKEAP1CTNNB1PTPN1
SCHEMBL14478119	0.74	CCKBR (0.57)	CCKBRCCKAR
SCHEMBL14478152	0.73	APC (0.51)	APCCCKBROPRM1OPRD1
SCHEMBL2735762	0.72	APC (0.52)	APCCCKBRMMP1KEAP1OPRM1
SCHEMBL14478092	0.71	CCKBR (0.47)	LCKCCKBRCCKARKEAP1CTNNB1
SCHEMBL9832852	0.71	MMP1 (0.56)	MMP1PTPN1

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