SCHEMBL20756440

C[C@H]1NC(=O)CCSCc2cc3cc(c2)CSC[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](Cc2cccc4ccccc24)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)CN[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 0.48

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	GRB7	Q14451	2/20	0.48

▸	LDLR	P01130	10/20	0.47

▸	PCSK9	Q8NBP7	10/20	0.47

▸	CTSG	P08311	2/20	0.44

▸	EPHA2	P29317	1/20	0.44

▸	PLAU	P00749	1/20	0.43

▸	OPRK1	P41145	2/20	0.41

▸	TSLP	Q969D9	2/20	0.41

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
SCHEMBL22404465	0.95	GRB7 (0.50)	GRB7LDLRPCSK9CTSGEPHA2
SCHEMBL22404440	0.95	GRB7 (0.50)	GRB7LDLRPCSK9CTSGEPHA2
SCHEMBL20756627	0.92	GRB7 (0.56)	GRB7LDLRPCSK9CTSGEPHA2
SCHEMBL23105035	0.91	CTSG (0.48)	GRB7LDLRPCSK9CTSGEPHA2
SCHEMBL22404452	0.89	PCSK9 (0.47)	GRB7LDLRPCSK9CTSGEPHA2
SCHEMBL23104927	0.87	CTSG (0.50)	GRB7LDLRPCSK9CTSGEPHA2
SCHEMBL20385895	0.86	GRB7 (0.49)	GRB7LDLRPCSK9CTSGEPHA2
SCHEMBL20385944	0.86	GRB7 (0.49)	GRB7LDLRPCSK9CTSGEPHA2
SCHEMBL20382865	0.86	CTSG (0.51)	GRB7LDLRPCSK9CTSGEPHA2
SCHEMBL20382863	0.86	CTSG (0.51)	GRB7LDLRPCSK9CTSGEPHA2

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-2019034868-A1	BICYCLIC PEPTIDE LIGAND PRR-A CONJUGATES AND USES THEREOF	Bicyclerd Limited (GB)	2019-02-21	—	—	WO	disclosed