SCHEMBL16615917

CN[C@@H](CO)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(=O)N(C)[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)O)N(C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	TERF2	Q15554	4/20	0.41

▸	SRC	P12931	2/20	0.40

▸	BIRC3	Q13489	3/20	0.40

▸	MMP1	P03956	3/20	0.38

▸	MMP2	P08253	3/20	0.38

▸	MMP3	P08254	3/20	0.38

▸	MMP9	P14780	3/20	0.38

▸	MMP8	P22894	3/20	0.38

▸	REN	P00797	2/20	0.37

▸	CPB2	Q96IY4	1/20	0.37

▸	KLK7	P49862	1/20	0.36

▸	MC4R	P32245	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
SCHEMBL16615886	0.94	SRC (0.40)	TERF2SRCBIRC3MMP1MMP2
SCHEMBL16615743	0.93	TERF2 (0.42)	TERF2SRCBIRC3
SCHEMBL16615750	0.87	SRC (0.47)	TERF2SRCBIRC3MMP1MMP2
SCHEMBL16615898	0.83	MMP1 (0.39)	BIRC3MMP1MMP2MMP3MMP9
SCHEMBL16615762	0.82	SRC (0.43)	TERF2SRCBIRC3MMP1MMP2
SCHEMBL16615868	0.81	MC1R (0.45)	SRCMMP1MMP2MMP3MMP9
SCHEMBL16615764	0.78	MC1R (0.46)	TERF2SRCMMP1MMP2MMP3
SCHEMBL16615888	0.77	MC1R (0.38)	SRCREN
SCHEMBL16615904	0.76	SRC (0.48)	SRCMMP1MMP2MMP3MMP9
SCHEMBL16615899	0.75	SIRT2 (0.39)	MMP1MMP9MC4R

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