SCHEMBL16615753

CC(O)[C@@H]1NC[C@@H](NC(=O)[C@@H](N)CO)CCC(=O)NCCCC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C=O)Cc2ccccc2)NC(=O)[C@H](CO)NC1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	SRC	P12931	1/20	0.45

▸	SSTR2	P30874	5/20	0.42

▸	SSTR4	P31391	4/20	0.42

▸	SSTR5	P35346	4/20	0.42

▸	MMP1	P03956	3/20	0.40

▸	MMP2	P08253	3/20	0.40

▸	MMP3	P08254	3/20	0.40

▸	MMP9	P14780	3/20	0.40

▸	MMP8	P22894	3/20	0.40

▸	SSTR1	P30872	4/20	0.39

▸	SSTR3	P32745	1/20	0.39

▸	MC1R	Q01726	1/20	0.39

▸	POLB	P06746	1/20	0.37

▸	TDP1	Q9NUW8	1/20	0.37

▸	L3MBTL1	Q9Y468	1/20	0.37

▸	KLK7	P49862	1/20	0.37

▸	FURIN	P09958	1/20	0.36

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
SCHEMBL16615856	0.87	SRC (0.42)	SRCSSTR2SSTR4SSTR5MMP1
SCHEMBL16691498	0.85	SRC (0.45)	SRCSSTR2SSTR4SSTR5MMP1
SCHEMBL16615869	0.79	SRC (0.46)	SRCMMP1MMP2MMP3MMP9
SCHEMBL16691478	0.78	SRC (0.51)	SRCSSTR2SSTR4SSTR5MMP1
SCHEMBL16615751	0.78	SSTR5 (0.47)	SRCSSTR2SSTR4SSTR5SSTR1
SCHEMBL16615854	0.78	SSTR2 (0.50)	SRCSSTR2SSTR4SSTR5MMP1
SCHEMBL16615594	0.78	MC1R (0.46)	SRCSSTR2SSTR4SSTR5MMP1
SCHEMBL16615855	0.78	MC1R (0.43)	SRCSSTR2SSTR4SSTR5MMP1
SCHEMBL16615864	0.77	SSTR5 (0.50)	SRCSSTR2SSTR4SSTR5MMP1
SCHEMBL16691469	0.77	SRC (0.49)	SRCMMP1MMP2MMP3MMP9

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-2015044900-A1	THERAPEUTIC IMMUNOMODULATING COMPOUNDS	AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN)	2015-04-02	—	—	WO	disclosed