SCHEMBL19861138

C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)[C@H](CSCCCCOC)C(=O)N(C)[C@@H](CC(C)(C)OC)C(=O)N[C@H](C(C)C)C(=O)N(C)[C@H](CCC(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 0.67

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	PPIA	P62937	20/20	0.67

▸	PPIB	P23284	16/20	0.67

▸	SLCO1B1	Q9Y6L6	4/20	0.65

▸	PPIF	P30405	2/20	0.62

▸	CYP3A4	P08684	1/20	0.62

▸	CYP2C9	P11712	1/20	0.62

▸	CYP2C19	P33261	1/20	0.62

▸	ABCB11	O95342	2/20	0.61

▸	ABCB1	P08183	2/20	0.61

▸	SLCO1B3	Q9NPD5	2/20	0.61

▸	ABCC2	Q92887	1/20	0.61

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
SCHEMBL15183371	0.96	PPIA (0.72)	PPIAPPIBSLCO1B1PPIFCYP3A4
SCHEMBL17523733	0.96	PPIA (0.72)	PPIAPPIBSLCO1B1PPIFCYP3A4
SCHEMBL19861137	0.95	PPIA (0.70)	PPIAPPIBSLCO1B1PPIFCYP3A4
SCHEMBL20076345	0.94	PPIA (0.76)	PPIAPPIBSLCO1B1PPIFCYP3A4
SCHEMBL19861084	0.93	PPIA (0.69)	PPIAPPIBSLCO1B1PPIFCYP3A4
SCHEMBL15183370	0.92	PPIA (0.75)	PPIAPPIBSLCO1B1PPIFCYP3A4
SCHEMBL17523682	0.92	PPIA (0.81)	PPIAPPIBSLCO1B1PPIFCYP3A4
SCHEMBL17523694	0.91	PPIA (0.80)	PPIAPPIBSLCO1B1PPIFCYP3A4
SCHEMBL17523692	0.91	PPIA (0.80)	PPIAPPIBSLCO1B1PPIFCYP3A4
SCHEMBL21983202	0.91	PPIA (0.79)	PPIAPPIBSLCO1B1PPIFCYP3A4

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