SCHEMBL16615755

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

nearest known ligand 0.43

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	STAT3	P40763	2/20	0.43

▸	MC1R	Q01726	1/20	0.42

▸	SSTR2	P30874	1/20	0.42

▸	SSTR4	P31391	1/20	0.42

▸	SSTR5	P35346	1/20	0.42

▸	MLLT3	P42568	1/20	0.41

▸	MLLT1	Q03111	1/20	0.41

▸	SRC	P12931	2/20	0.41

▸	CCKBR	P32239	1/20	0.41

▸	REN	P00797	3/20	0.40

▸	OPRM1	P35372	1/20	0.38

▸	OPRD1	P41143	1/20	0.38

▸	OPRK1	P41145	1/20	0.38

▸	SSTR1	P30872	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
SCHEMBL16615752	0.91	SRC (0.40)	STAT3MC1RSSTR2SSTR4SSTR5
SCHEMBL16615594	0.86	MC1R (0.46)	STAT3MC1RSSTR2SSTR4SSTR5
SCHEMBL16615884	0.85	SSTR1 (0.43)	STAT3MC1RSSTR2SSTR4SSTR5
SCHEMBL16615765	0.84	STAT3 (0.42)	STAT3MC1RSSTR2SSTR4SSTR5
SCHEMBL16615904	0.84	SRC (0.48)	STAT3MC1RSSTR2SSTR4SSTR5
SCHEMBL16691478	0.83	SRC (0.51)	STAT3MC1RSSTR2SSTR4SSTR5
SCHEMBL16615864	0.82	SSTR5 (0.50)	MC1RSSTR2SSTR4SSTR5SRC
SCHEMBL16615893	0.82	MMP1 (0.39)	MLLT3MLLT1SRC
SCHEMBL16691494	0.81	SRC (0.49)	STAT3MC1RSSTR2SSTR4SSTR5
SCHEMBL16615859	0.81	SRC (0.48)	STAT3MC1RSSTR2SSTR4SSTR5

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