SCHEMBL10132153

COCCOC(=O)CCCC(=O)N[C@@H](CC(=O)C[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)C[C@@H]1C(=O)N[C@@H](C(C)O)C(=O)CCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)C[C@@H](Cc2ccccc2)C(=O)NCC(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)CSSC1(C)C)C(=O)CN[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)C[C@@H]1C(=O)N[C@@H](C(C)O)C(=O)CCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)C[C@@H](Cc2ccccc2)C(=O)NCC(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)CSSC1(C)C

nearest known ligand 0.64

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	FCGRT	P55899	4/20	0.64

▸	EPHA2	P29317	12/20	0.42

▸	ACE	P12821	2/20	0.39

▸	ACE2	Q9BYF1	2/20	0.39

▸	CHRNA7	P36544	1/20	0.38

▸	CHRNA10	Q9GZZ6	1/20	0.38

▸	CHRNA9	Q9UGM1	1/20	0.38

▸	KEAP1	Q14145	1/20	0.37

▸	NFE2L2	Q16236	1/20	0.37

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
SCHEMBL12253738	0.98	FCGRT (0.66)	FCGRTEPHA2ACEACE2CHRNA7
SCHEMBL12766288	0.98	FCGRT (0.66)	FCGRTEPHA2ACEACE2CHRNA7
SCHEMBL12253644	0.89	FCGRT (0.62)	FCGRTEPHA2ACEACE2
SCHEMBL14366165	0.88	FCGRT (0.80)	FCGRTEPHA2ACEACE2CHRNA7
SCHEMBL12305037	0.77	FCGRT (0.81)	FCGRTEPHA2ACEACE2
SCHEMBL24625820	0.61	KLK7 (0.53)	EPHA2ACEACE2
SCHEMBL26902265	0.59	F11 (0.57)	—
SCHEMBL24625791	0.59	EPHA2 (0.51)	FCGRTEPHA2ACEACE2
SCHEMBL26880160	0.59	F11 (0.57)	—
SCHEMBL24625828	0.58	KLK7 (0.54)	EPHA2ACEACE2

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
US-8101186-B2	Peptides that block the binding of IgG to FcRn	SYNTONIX PHARMACEUTICALS, INC. (US)	2012-01-24	—	—	US	disclosed