SCHEMBL20664937

C/C=C/C[C@@H](C)[C@@H](O)C1C(=O)N[C@@H](CC)C(=O)N(C)C(OCCN)C(=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 0.79

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	PPIA	P62937	19/20	0.79

▸	PPIB	P23284	15/20	0.79

▸	SLCO1B1	Q9Y6L6	5/20	0.76

▸	ABCB11	O95342	2/20	0.76

▸	ABCB1	P08183	2/20	0.76

▸	ABCC2	Q92887	2/20	0.76

▸	SLCO1B3	Q9NPD5	2/20	0.76

▸	FKBP1B	P68106	2/20	0.74

▸	MEN1	O00255	1/20	0.74

▸	NPC1	O15118	1/20	0.74

▸	ABCC3	O15438	1/20	0.74

▸	GMNN	O75496	1/20	0.74

▸	USP2	O75604	1/20	0.74

▸	SLCO2B1	O94956	1/20	0.74

▸	LMNA	P02545	1/20	0.74

▸	POLB	P06746	1/20	0.74

▸	CYP3A4	P08684	1/20	0.74

▸	MAPT	P10636	1/20	0.74

▸	RARB	P10826	1/20	0.74

▸	CYP2C9	P11712	1/20	0.74

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
SCHEMBL22046793	1.00	PPIA (0.79)	PPIAPPIBSLCO1B1ABCB11ABCB1
SCHEMBL25610727	0.93	PPIA (0.78)	PPIAPPIBSLCO1B1ABCB11ABCB1
SCHEMBL25722820	0.93	PPIA (0.78)	PPIAPPIBSLCO1B1ABCB11ABCB1
SCHEMBL22046671	0.93	PPIA (0.78)	PPIAPPIBSLCO1B1ABCB11ABCB1
SCHEMBL20664941	0.93	PPIA (0.78)	PPIAPPIBSLCO1B1ABCB11ABCB1
SCHEMBL19861134	0.91	PPIA (0.81)	PPIAPPIBSLCO1B1ABCB11ABCB1
SCHEMBL15183408	0.91	PPIA (0.81)	PPIAPPIBSLCO1B1ABCB11ABCB1
SCHEMBL15182882	0.91	PPIA (0.90)	PPIAPPIBSLCO1B1ABCB11ABCB1
SCHEMBL15182883	0.91	PPIA (0.90)	PPIAPPIBSLCO1B1ABCB11ABCB1
SCHEMBL16657046	0.90	PPIA (0.81)	PPIAPPIBSLCO1B1ABCB11ABCB1

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-2019016572-A1	CYCLOSPORIN ANALOGUES AND USES THEREOF	CYPRALIS LTD (GB)	2019-01-24	—	—	WO	disclosed