SCHEMBL20053639

CCCC[C@H]1C(=O)N(C)[C@@H](CCCC)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)NCC(N)=O)CSCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CN)C(=O)N[C@@H](CC(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCN)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1C

nearest known ligand 0.65

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	CD274	Q9NZQ7	9/20	0.65

▸	PDCD1	Q15116	7/20	0.63

▸	CIB1	Q99828	4/20	0.54

▸	KLKB1	P03952	3/20	0.45

▸	PCSK9	Q8NBP7	3/20	0.44

▸	LDLR	P01130	2/20	0.44

▸	ROR1	Q01973	1/20	0.43

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
SCHEMBL17854750	1.00	CD274 (0.65)	CD274PDCD1CIB1KLKB1PCSK9
SCHEMBL20052312	0.98	CD274 (0.65)	CD274PDCD1CIB1KLKB1PCSK9
SCHEMBL20053642	0.97	CD274 (0.69)	CD274PDCD1CIB1KLKB1PCSK9
SCHEMBL17854748	0.96	CD274 (0.68)	CD274PDCD1CIB1KLKB1PCSK9
SCHEMBL17854747	0.96	CD274 (0.65)	CD274PDCD1CIB1KLKB1PCSK9
SCHEMBL20052342	0.96	CD274 (0.68)	CD274PDCD1CIB1KLKB1PCSK9
SCHEMBL17854751	0.96	CD274 (0.67)	CD274PDCD1CIB1KLKB1PCSK9
SCHEMBL17854753	0.96	CD274 (0.65)	CD274PDCD1CIB1KLKB1PCSK9
SCHEMBL20053679	0.95	CD274 (0.64)	CD274PDCD1CIB1KLKB1PCSK9
SCHEMBL17815195	0.95	CD274 (0.70)	CD274PDCD1CIB1KLKB1ROR1

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-9944678-B2	Immunomodulators	BRISTOL-MYERS SQUIBB COMPANY (US)	2018-04-17	—	—	US	disclosed