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SCHEMBL20664938

SCHEMBL20664938

C/C=C/C[C@@H](C)[C@@H](O)C1C(=O)N[C@@H](CC)C(=O)N(C)C(OCCNC(=O)OC(C)(C)C)C(=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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPIA P62937 20/20 0.71
▸ PPIB P23284 13/20 0.71
▸ SLCO1B1 Q9Y6L6 4/20 0.69
▸ ABCB11 O95342 2/20 0.68
▸ ABCB1 P08183 2/20 0.68
▸ ABCC2 Q92887 2/20 0.68
▸ SLCO1B3 Q9NPD5 2/20 0.68
▸ MEN1 O00255 1/20 0.66
▸ NPC1 O15118 1/20 0.66
▸ ABCC3 O15438 1/20 0.66
▸ GMNN O75496 1/20 0.66
▸ USP2 O75604 1/20 0.66
▸ SLCO2B1 O94956 1/20 0.66
▸ LMNA P02545 1/20 0.66
▸ POLB P06746 1/20 0.66
▸ CYP3A4 P08684 1/20 0.66
▸ MAPT P10636 1/20 0.66
▸ RARB P10826 1/20 0.66
▸ CYP2C9 P11712 1/20 0.66
▸ CYP3A5 P20815 1/20 0.66

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
SCHEMBL22046690 1.00 PPIA (0.71) PPIAPPIBSLCO1B1ABCB11ABCB1
SCHEMBL22046793 0.88 PPIA (0.79) PPIAPPIBSLCO1B1ABCB11ABCB1
SCHEMBL20664937 0.88 PPIA (0.79) PPIAPPIBSLCO1B1ABCB11ABCB1
SCHEMBL18720088 0.88 ABCB1 (0.81) PPIAPPIBSLCO1B1ABCB11ABCB1
SCHEMBL25722820 0.87 PPIA (0.78) PPIAPPIBSLCO1B1ABCB11ABCB1
SCHEMBL20664941 0.87 PPIA (0.78) PPIAPPIBSLCO1B1ABCB11ABCB1
SCHEMBL22046671 0.87 PPIA (0.78) PPIAPPIBSLCO1B1ABCB11ABCB1
SCHEMBL25610727 0.87 PPIA (0.78) PPIAPPIBSLCO1B1ABCB11ABCB1
SCHEMBL25739796 0.87 PPIA (0.77) PPIAPPIBSLCO1B1ABCB11ABCB1
SCHEMBL15182882 0.85 PPIA (0.90) PPIAPPIBSLCO1B1ABCB11ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3655012-B1 CYCLOSPORIN ANALOGUES AND USES THEREOF CYPRALIS LTD (GB) 2023-07-05 — — EP disclosed
WO-2019016572-A1 CYCLOSPORIN ANALOGUES AND USES THEREOF CYPRALIS LTD (GB) 2019-01-24 — — WO disclosed