SCHEMBL20756136

C[C@H]1NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)CSCc2cc3cc(c2)CSC[C@@H](N1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)(C)C)C(=O)N[C@H](C(N)=O)CSC3

nearest known ligand 0.55

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CTSG	P08311	3/20	0.55

▸	EPHA2	P29317	2/20	0.54

▸	PLAU	P00749	3/20	0.54

▸	OPRK1	P41145	2/20	0.52

▸	KLKB1	P03952	8/20	0.51

▸	PLG	P00747	1/20	0.49

▸	LDLR	P01130	1/20	0.48

▸	PCSK9	Q8NBP7	1/20	0.48

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
SCHEMBL20756513	0.96	CTSG (0.59)	CTSGEPHA2PLAUOPRK1KLKB1
SCHEMBL22198564	0.96	CTSG (0.59)	CTSGEPHA2PLAUOPRK1KLKB1
SCHEMBL20762989	0.96	CTSG (0.52)	CTSGEPHA2PLAUOPRK1KLKB1
SCHEMBL20756507	0.94	KLKB1 (0.52)	CTSGEPHA2PLAUOPRK1KLKB1
SCHEMBL22352150	0.93	CTSG (0.49)	CTSGEPHA2PLAUOPRK1KLKB1
SCHEMBL20756692	0.92	CTSG (0.56)	CTSGEPHA2PLAUOPRK1KLKB1
SCHEMBL20756093	0.91	KLKB1 (0.49)	CTSGEPHA2PLAUKLKB1PLG
SCHEMBL20756630	0.91	KLKB1 (0.55)	CTSGEPHA2PLAUKLKB1PLG
SCHEMBL21959057	0.91	CTSG (0.54)	CTSGEPHA2PLAUOPRK1KLKB1
SCHEMBL24245867	0.90	OPRK1 (0.53)	CTSGEPHA2PLAUOPRK1KLKB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2019034868-A1	BICYCLIC PEPTIDE LIGAND PRR-A CONJUGATES AND USES THEREOF	Bicyclerd Limited (GB)	2019-02-21	—	—	WO	disclosed
WO-2019034866-A1	BICYCLIC PEPTIDE LIGAND STING CONJUGATES AND USES THEREOF	Bicyclerd Limited (GB)	2019-02-21	—	—	WO	disclosed