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Sugi Predict / Compounds / Cyclosporine

Cyclosporine

Cyclosporine

SCHEMBL1461528

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.CNCC[C@H](Oc1cccc2ccccc12)c1cccs1

nearest known ligand 0.68

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)

geneUniProtsupporting neighboursconfidence
▸ PPIA known ✓ P62937 6/20 0.68
▸ ABCB1 P08183 10/20 0.68
▸ PPP3CA Q08209 5/20 0.68
▸ FKBP1B P68106 3/20 0.68
▸ MEN1 O00255 1/20 0.68
▸ NPC1 O15118 1/20 0.68
▸ ABCC3 O15438 1/20 0.68
▸ GMNN O75496 1/20 0.68
▸ USP2 O75604 1/20 0.68
▸ SLCO2B1 O94956 1/20 0.68
▸ ABCB11 O95342 1/20 0.68
▸ LMNA P02545 1/20 0.68
▸ POLB P06746 1/20 0.68
▸ CYP3A4 P08684 1/20 0.68
▸ MAPT P10636 1/20 0.68
▸ RARB P10826 1/20 0.68
▸ CYP2C9 P11712 1/20 0.68
▸ CYP3A5 P20815 1/20 0.68
▸ TACR2 P21452 1/20 0.68
▸ PPIB P23284 1/20 0.68

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.

Compoundsimilaritytop predictedshared targets
Cyclosporine SCHEMBL17607323 0.83 ABCB1 (0.97) ABCB1PPIAPPP3CAFKBP1BMEN1
Cyclosporine SCHEMBL4455394 0.83 ABCB1 (0.97) ABCB1PPIAPPP3CAFKBP1BMEN1
Cyclosporine SCHEMBL4460669 0.82 ABCB1 (0.93) ABCB1PPIAPPP3CAFKBP1BMEN1
SCHEMBL23382247 0.82 ABCB1 (1.00) ABCB1PPIAPPP3CAFKBP1BMEN1
SCHEMBL23110210 0.82 ABCB1 (1.00) ABCB1PPIAPPP3CAFKBP1BMEN1
Cyclosporine SCHEMBL23192319 0.82 ABCB1 (1.00) ABCB1PPIAPPP3CAFKBP1BMEN1
Cyclosporine SCHEMBL25083206 0.82 ABCB1 (1.00) ABCB1PPIAPPP3CAFKBP1BMEN1
Cyclosporine SCHEMBL24239036 0.82 ABCB1 (1.00) ABCB1PPIAPPP3CAFKBP1BMEN1
Cyclosporine SCHEMBL24239035 0.82 ABCB1 (1.00) ABCB1PPIAPPP3CAFKBP1BMEN1
Cyclosporine SCHEMBL22123717 0.82 ABCB1 (1.00) ABCB1PPIAPPP3CAFKBP1BMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2494075-A2 TEMPLATED NANOCONJUGATES Northwestern University (US) 2012-09-05 — — EP disclosed
EP-2473160-A1 DELIVERY OF THERAPEUTIC AGENTS USING OLIGONUCLEOTIDE-MODIFIED NANOPARTICLES AS CARRIERS Northwestern University (US) 2012-07-11 — — EP disclosed
WO-2011053940-A2 TEMPLATED NANOCONJUGATES NORTHWESTERN UNIVERSITY (US) 2011-05-05 — — WO disclosed
WO-2011028850-A1 DELIVERY OF THERAPEUTIC AGENTS USING OLIGONUCLEOTIDE-MODIFIED NANOPARTICLES AS CARRIERS NORTHWESTERN UNIVERSITY (US) 2011-03-10 — — WO disclosed
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