SCHEMBL19861130

C/C=C/C[C@@H](C)C[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)[C@H](COCCCN2CCCC2)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](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C

nearest known ligand 0.68

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	PPIA	P62937	19/20	0.68

▸	ABCB1	P08183	1/20	0.64

▸	PPIB	P23284	10/20	0.61

▸	CYP3A4	P08684	1/20	0.59

▸	CYP2C9	P11712	1/20	0.59

▸	PPIF	P30405	1/20	0.59

▸	CYP2C19	P33261	1/20	0.59

▸	SLCO1B1	Q9Y6L6	1/20	0.59

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
SCHEMBL17523723	0.93	PPIA (0.80)	PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL15183345	0.93	PPIA (0.80)	PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL19860360	0.92	PPIA (0.74)	PPIAABCB1PPIBCYP3A4CYP2C9
SCHEMBL15183330	0.91	PPIA (0.81)	PPIAABCB1PPIBCYP3A4CYP2C9
SCHEMBL19861131	0.91	PPIA (0.73)	PPIAABCB1PPIBCYP3A4CYP2C9
SCHEMBL15183310	0.91	PPIA (0.81)	PPIAABCB1PPIBCYP3A4CYP2C9
SCHEMBL19861425	0.90	PPIA (0.69)	PPIAABCB1PPIBCYP3A4CYP2C9
SCHEMBL19861322	0.89	PPIA (0.74)	PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL15183344	0.89	PPIA (0.78)	PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL20076273	0.88	ABCB1 (0.66)	PPIAABCB1PPIBPPIFSLCO1B1

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