SCHEMBL19861129

C/C=C/C[C@@H](C)C[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)[C@H](COCCC=O)C(=O)N(C)[C@@H](CC(C)(C)O)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 0.68

Predicted protein targets (top 11)

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

▸	ABCB1	P08183	2/20	0.62

▸	PPIB	P23284	11/20	0.60

▸	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	2/20	0.58

▸	ABCB11	O95342	1/20	0.57

▸	ABCC2	Q92887	1/20	0.57

▸	SLCO1B3	Q9NPD5	1/20	0.57

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
SCHEMBL19861131	0.96	PPIA (0.73)	PPIAABCB1PPIBCYP3A4CYP2C9
SCHEMBL19861320	0.93	PPIA (0.80)	PPIAABCB1PPIBCYP3A4CYP2C9
SCHEMBL19861268	0.92	PPIA (0.79)	PPIAABCB1PPIBCYP3A4CYP2C9
SCHEMBL19860360	0.92	PPIA (0.74)	PPIAABCB1PPIBCYP3A4CYP2C9
SCHEMBL19861132	0.92	PPIA (0.67)	PPIAABCB1PPIBCYP3A4CYP2C9
SCHEMBL19861287	0.92	PPIA (0.65)	PPIAABCB1PPIBCYP3A4CYP2C9
SCHEMBL20076335	0.91	ABCB1 (0.73)	PPIAABCB1PPIBCYP3A4CYP2C9
SCHEMBL15183343	0.90	PPIA (0.85)	PPIAABCB1PPIBCYP3A4CYP2C9
SCHEMBL19861168	0.88	PPIA (0.77)	PPIAABCB1PPIBCYP3A4CYP2C9
SCHEMBL19861231	0.88	PPIA (0.69)	PPIAABCB1PPIBCYP3A4CYP2C9

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