SCHEMBL19861136

C=C1C(=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)N(C)C([C@H](O)[C@H](C)C/C=C/C)C(=O)N[C@@H](CC)C(=O)N1C

nearest known ligand 0.77

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	PPIA	P62937	19/20	0.77

▸	PPIB	P23284	14/20	0.77

▸	SLCO1B1	Q9Y6L6	4/20	0.77

▸	ABCB1	P08183	3/20	0.77

▸	ABCB11	O95342	2/20	0.77

▸	ABCC2	Q92887	2/20	0.77

▸	SLCO1B3	Q9NPD5	2/20	0.77

▸	MEN1	O00255	1/20	0.77

▸	NPC1	O15118	1/20	0.77

▸	ABCC3	O15438	1/20	0.77

▸	GMNN	O75496	1/20	0.77

▸	USP2	O75604	1/20	0.77

▸	SLCO2B1	O94956	1/20	0.77

▸	LMNA	P02545	1/20	0.77

▸	POLB	P06746	1/20	0.77

▸	CYP3A4	P08684	1/20	0.77

▸	MAPT	P10636	1/20	0.77

▸	RARB	P10826	1/20	0.77

▸	CYP2C9	P11712	1/20	0.77

▸	CYP3A5	P20815	1/20	0.77

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
SCHEMBL1708939	1.00	PPIA (0.77)	PPIAPPIBSLCO1B1ABCB1ABCB11
SCHEMBL15182888	1.00	PPIA (0.77)	PPIAPPIBSLCO1B1ABCB1ABCB11
SCHEMBL16546028	1.00	PPIA (0.77)	PPIAPPIBSLCO1B1ABCB1ABCB11
SCHEMBL15183398	0.98	PPIA (0.77)	PPIAPPIBSLCO1B1ABCB1ABCB11
SCHEMBL19861411	0.96	PPIA (0.72)	PPIAPPIBSLCO1B1ABCB1ABCB11
SCHEMBL15183881	0.96	PPIA (0.77)	PPIAPPIBSLCO1B1ABCB1ABCB11
SCHEMBL20076062	0.95	PPIA (0.76)	PPIAPPIBSLCO1B1ABCB1ABCB11
SCHEMBL15183392	0.95	PPIA (0.76)	PPIAPPIBSLCO1B1ABCB1ABCB11
SCHEMBL19634794	0.95	PPIA (0.84)	PPIAPPIBSLCO1B1ABCB1ABCB11
SCHEMBL15183005	0.95	PPIA (0.84)	PPIAPPIBSLCO1B1ABCB1ABCB11

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-9890198-B2	Cyclosporin derivatives and uses thereof	S&T GLOBAL INC. (US)	2018-02-13	—	—	US	disclosed