SCHEMBL19861230

C/C=C/C[C@@H](C)C[C@@H]1C(=O)N[C@H](CC)C(=O)N(C)CC(=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](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
▸	ABCB1	P08183	12/20	0.81

▸	PPIA	P62937	8/20	0.80

▸	ABCC1	P33527	2/20	0.71

▸	FKBP1B	P68106	2/20	0.71

▸	ABCC2	Q92887	2/20	0.71

▸	MEN1	O00255	1/20	0.71

▸	NPC1	O15118	1/20	0.71

▸	ABCC3	O15438	1/20	0.71

▸	GMNN	O75496	1/20	0.71

▸	USP2	O75604	1/20	0.71

▸	SLCO2B1	O94956	1/20	0.71

▸	ABCB11	O95342	1/20	0.71

▸	LMNA	P02545	1/20	0.71

▸	POLB	P06746	1/20	0.71

▸	CYP3A4	P08684	1/20	0.71

▸	MAPT	P10636	1/20	0.71

▸	RARB	P10826	1/20	0.71

▸	CYP2C9	P11712	1/20	0.71

▸	CYP3A5	P20815	1/20	0.71

▸	TACR2	P21452	1/20	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
SCHEMBL21015619	0.96	ABCB1 (0.89)	ABCB1PPIAABCC1FKBP1BABCC2
SCHEMBL21016042	0.94	ABCB1 (0.92)	ABCB1PPIAABCC1FKBP1BABCC2
SCHEMBL18737277	0.92	PPIA (0.92)	ABCB1PPIAABCC1FKBP1BABCC2
SCHEMBL18736986	0.92	PPIA (0.92)	ABCB1PPIAABCC1FKBP1BABCC2
SCHEMBL19861268	0.92	PPIA (0.79)	ABCB1PPIAABCC1FKBP1BABCC2
SCHEMBL17540477	0.90	ABCB1 (1.00)	ABCB1PPIAABCC1FKBP1BABCC2
SCHEMBL20180085	0.90	ABCB1 (1.00)	ABCB1PPIAABCC1FKBP1BABCC2
SCHEMBL22047168	0.90	ABCB1 (1.00)	ABCB1PPIAABCC1FKBP1BABCC2
SCHEMBL21165779	0.90	ABCB1 (1.00)	ABCB1PPIAABCC1FKBP1BABCC2
SCHEMBL14435531	0.90	ABCB1 (1.00)	ABCB1PPIAABCC1FKBP1BABCC2

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