SCHEMBL22338251

C=CC[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C

nearest known ligand 0.86

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	ABCB1	P08183	13/20	0.86

▸	PPIA	P62937	5/20	0.86

▸	PPP3CA	Q08209	4/20	0.86

▸	MEN1	O00255	1/20	0.86

▸	NPC1	O15118	1/20	0.86

▸	ABCC3	O15438	1/20	0.86

▸	GMNN	O75496	1/20	0.86

▸	USP2	O75604	1/20	0.86

▸	SLCO2B1	O94956	1/20	0.86

▸	ABCB11	O95342	1/20	0.86

▸	LMNA	P02545	1/20	0.86

▸	POLB	P06746	1/20	0.86

▸	CYP3A4	P08684	1/20	0.86

▸	MAPT	P10636	1/20	0.86

▸	RARB	P10826	1/20	0.86

▸	CYP2C9	P11712	1/20	0.86

▸	CYP3A5	P20815	1/20	0.86

▸	TACR2	P21452	1/20	0.86

▸	PPIB	P23284	1/20	0.86

▸	CYP3A7	P24462	1/20	0.86

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
SCHEMBL13654529	0.94	ABCB1 (0.87)	ABCB1PPIAPPP3CAMEN1NPC1
Voclosporin SCHEMBL25643987	0.93	ABCB1 (0.86)	ABCB1PPIAPPP3CAMEN1NPC1
Voclosporin SCHEMBL29190935	0.93	ABCB1 (0.86)	ABCB1PPIAPPP3CAMEN1NPC1
Voclosporin SCHEMBL25643982	0.93	ABCB1 (0.86)	ABCB1PPIAPPP3CAMEN1NPC1
Voclosporin SCHEMBL13933936	0.93	ABCB1 (0.86)	ABCB1PPIAPPP3CAMEN1NPC1
Voclosporin SCHEMBL12632344	0.93	ABCB1 (0.86)	ABCB1PPIAPPP3CAMEN1NPC1
Voclosporin SCHEMBL29359608	0.93	ABCB1 (0.86)	ABCB1PPIAPPP3CAMEN1NPC1
Voclosporin SCHEMBL31152864	0.93	ABCB1 (0.86)	ABCB1PPIAPPP3CAMEN1NPC1
Voclosporin SCHEMBL13163177	0.93	ABCB1 (0.86)	ABCB1PPIAPPP3CAMEN1NPC1
Cyclosporine SCHEMBL23192319	0.93	ABCB1 (1.00)	ABCB1PPIAPPP3CAMEN1NPC1

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-2020163594-A1	IMMUNOPHILIN BINDING AGENTS AND USES THEREOF	THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US)	2020-08-13	—	—	WO	disclosed