SCHEMBL19861226

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

nearest known ligand 0.81

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	PPIA	P62937	20/20	0.81

▸	PPIB	P23284	9/20	0.74

▸	CYP3A4	P08684	2/20	0.74

▸	CYP2C9	P11712	2/20	0.74

▸	PPIF	P30405	2/20	0.74

▸	CYP2C19	P33261	2/20	0.74

▸	SLCO1B1	Q9Y6L6	3/20	0.66

▸	ABCB11	O95342	2/20	0.66

▸	ABCB1	P08183	2/20	0.66

▸	ABCC2	Q92887	2/20	0.66

▸	SLCO1B3	Q9NPD5	2/20	0.66

▸	MEN1	O00255	1/20	0.62

▸	NPC1	O15118	1/20	0.62

▸	ABCC3	O15438	1/20	0.62

▸	GMNN	O75496	1/20	0.62

▸	USP2	O75604	1/20	0.62

▸	SLCO2B1	O94956	1/20	0.62

▸	LMNA	P02545	1/20	0.62

▸	POLB	P06746	1/20	0.62

▸	MAPT	P10636	1/20	0.62

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
SCHEMBL19861197	0.97	PPIA (0.77)	PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL15183036	0.97	PPIA (0.86)	PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL15183040	0.97	PPIA (0.86)	PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL20076278	0.96	PPIA (0.76)	PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL20076275	0.95	PPIA (0.75)	PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL19861502	0.95	PPIA (0.77)	PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL19861208	0.95	PPIA (0.76)	PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL17523720	0.95	PPIA (0.83)	PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL19861430	0.95	PPIA (0.73)	PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL15183064	0.94	PPIA (0.82)	PPIAPPIBCYP3A4CYP2C9PPIF

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