SCHEMBL19861347

C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)[C@H](SCCCN2CCOCC2)C(=O)N(C)[C@@H](C(C)CC)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)NC(=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 0.81

Predicted protein targets (top 3)

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

▸	PPIB	P23284	11/20	0.73

▸	SLCO1B1	Q9Y6L6	4/20	0.71

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
SCHEMBL15183869	0.96	PPIA (0.88)	PPIAPPIBSLCO1B1
SCHEMBL15183870	0.92	PPIA (0.92)	PPIAPPIBSLCO1B1
SCHEMBL18520567	0.90	PPIA (0.78)	PPIAPPIBSLCO1B1
SCHEMBL15183863	0.89	PPIA (0.86)	PPIAPPIBSLCO1B1
SCHEMBL18737363	0.89	PPIA (0.76)	PPIAPPIBSLCO1B1
SCHEMBL15183865	0.88	PPIA (0.83)	PPIAPPIBSLCO1B1
SCHEMBL18530856	0.87	PPIA (0.80)	PPIAPPIBSLCO1B1
SCHEMBL18520085	0.86	PPIA (0.81)	PPIAPPIBSLCO1B1
SCHEMBL1708970	0.86	PPIA (0.82)	PPIAPPIBSLCO1B1
SCHEMBL18720070	0.85	PPIA (0.79)	PPIAPPIBSLCO1B1

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