Cyclosporine

SCHEMBL7622649

C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)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.CC(C)Cc1ccc(C(C)C(=O)O)cc1

nearest known ligand 0.81

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PPIA

The experimentally established mechanism targets of Cyclosporine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	PPIA known ✓	P62937	5/20	0.81

▸	ABCB1	P08183	12/20	0.81

▸	FKBP1B	P68106	3/20	0.81

▸	PPP3CA	Q08209	3/20	0.81

▸	MEN1	O00255	1/20	0.81

▸	NPC1	O15118	1/20	0.81

▸	ABCC3	O15438	1/20	0.81

▸	GMNN	O75496	1/20	0.81

▸	USP2	O75604	1/20	0.81

▸	SLCO2B1	O94956	1/20	0.81

▸	ABCB11	O95342	1/20	0.81

▸	LMNA	P02545	1/20	0.81

▸	POLB	P06746	1/20	0.81

▸	CYP3A4	P08684	1/20	0.81

▸	MAPT	P10636	1/20	0.81

▸	RARB	P10826	1/20	0.81

▸	CYP2C9	P11712	1/20	0.81

▸	CYP3A5	P20815	1/20	0.81

▸	TACR2	P21452	1/20	0.81

▸	PPIB	P23284	1/20	0.81

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
Cyclosporine SCHEMBL2973383	0.90	ABCB1 (0.95)	ABCB1PPIAFKBP1BPPP3CAMEN1
Cyclosporine SCHEMBL2973381	0.90	ABCB1 (0.95)	ABCB1PPIAFKBP1BPPP3CAMEN1
Cyclosporine SCHEMBL25083206	0.90	ABCB1 (1.00)	ABCB1PPIAFKBP1BPPP3CAMEN1
Cyclosporine SCHEMBL24239036	0.90	ABCB1 (1.00)	ABCB1PPIAFKBP1BPPP3CAMEN1
Cyclosporine SCHEMBL21170318	0.90	ABCB1 (1.00)	ABCB1PPIAFKBP1BPPP3CAMEN1
Cyclosporine SCHEMBL24239035	0.90	ABCB1 (1.00)	ABCB1PPIAFKBP1BPPP3CAMEN1
SCHEMBL23382247	0.90	ABCB1 (1.00)	ABCB1PPIAFKBP1BPPP3CAMEN1
Cyclosporine SCHEMBL23192320	0.90	ABCB1 (1.00)	ABCB1PPIAFKBP1BPPP3CAMEN1
Cyclosporine SCHEMBL24224445	0.90	ABCB1 (1.00)	ABCB1PPIAFKBP1BPPP3CAMEN1
Cyclosporine SCHEMBL23192319	0.90	ABCB1 (1.00)	ABCB1PPIAFKBP1BPPP3CAMEN1

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-6436430-B1	PROPYLENE GLYCOL MONOESTER OF C6-C18 FATTY ACID HAVING AT LEAST 60% BY WEIGHT MONOESTER AND NONIONIC SURFACTANT	PHARMASOLUTIONS, INC.	2002-08-20	—	—	US	disclosed