SCHEMBL18375815

CCC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)C(NC(=O)[C@H](C)NC(C)=O)CSSC[C@H](C(=O)NC(C)C(=O)O)NC(=O)C(C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)NC(=O)[C@H](C)NC(=O)C(CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)C([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CCC(=O)O)NC1=O

nearest known ligand 0.58

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	EPHA2	P29317	4/20	0.58

▸	KLKB1	P03952	6/20	0.58

▸	ACE2	Q9BYF1	3/20	0.56

▸	F12	P00748	4/20	0.56

▸	ACE	P12821	1/20	0.54

▸	KLK5	Q9Y337	1/20	0.53

▸	TSLP	Q969D9	1/20	0.53

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
SCHEMBL18375845	1.00	EPHA2 (0.58)	EPHA2KLKB1ACE2F12ACE
SCHEMBL18375843	0.94	EPHA2 (0.55)	EPHA2KLKB1ACE2F12ACE
SCHEMBL20375015	0.93	EPHA2 (0.63)	EPHA2KLKB1ACE2F12ACE
SCHEMBL18375846	0.92	EPHA2 (0.53)	EPHA2KLKB1ACE2F12ACE
SCHEMBL20375014	0.91	EPHA2 (0.61)	EPHA2KLKB1ACE2F12ACE
SCHEMBL18375806	0.91	KLKB1 (0.53)	EPHA2KLKB1ACE2F12ACE
SCHEMBL20375008	0.91	EPHA2 (0.58)	EPHA2KLKB1ACE2F12ACE
SCHEMBL20374834	0.91	KLKB1 (0.53)	EPHA2KLKB1ACE2F12ACE
SCHEMBL20374824	0.88	EPHA2 (0.52)	EPHA2KLKB1ACE2F12ACE
SCHEMBL20374825	0.88	EPHA2 (0.56)	EPHA2KLKB1ACE2F12ACE

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-2017004672-A1	PEPTIDYL TPOR ANTAGONISTS AND USES THEREOF	POLYMERS CRC LIMITED (AU)	2017-01-12	—	—	WO	disclosed