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Sugi Predict / Compounds / SCHEMBL14753967

SCHEMBL14753967

SCHEMBL14753967

CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)Cc2nc3cc(-c4nnn[nH]4)ccc3[nH]2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPIA P62937 11/20 0.72
▸ PPIB P23284 2/20 0.68
▸ PPIC P45877 1/20 0.68
▸ ABCB1 P08183 10/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ ABCC3 O15438 1/20 0.58
▸ GMNN O75496 1/20 0.58
▸ USP2 O75604 1/20 0.58
▸ SLCO2B1 O94956 1/20 0.58
▸ ABCB11 O95342 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ POLB P06746 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ RARB P10826 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ CYP3A5 P20815 1/20 0.58
▸ TACR2 P21452 1/20 0.58
▸ CYP3A7 P24462 1/20 0.58

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
SCHEMBL17950966 0.96 PPIA (0.79) PPIAPPIBPPICABCB1MEN1
SCHEMBL17951058 0.96 PPIA (0.79) PPIAPPIBPPICABCB1MEN1
SCHEMBL14754010 0.87 PPIA (0.76) PPIAPPIBPPICABCB1MEN1
SCHEMBL17951007 0.87 PPIA (0.81) PPIAPPIBPPICABCB1MEN1
SCHEMBL14753981 0.86 PPIA (0.72) PPIAPPIBPPICABCB1MEN1
SCHEMBL14754020 0.84 PPIA (0.92) PPIAPPIBPPICABCB1MEN1
SCHEMBL14754003 0.84 PPIA (0.83) PPIAPPIBPPICABCB1MEN1
SCHEMBL14753921 0.84 PPIA (0.82) PPIAPPIBPPICABCB1MEN1
SCHEMBL17951009 0.83 PPIA (0.81) PPIAPPIBPPICABCB1MEN1
SCHEMBL14754007 0.83 PPIA (0.81) PPIAPPIBPPICABCB1MEN1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013030208-A1 CYCLOSPORIN DERIVATIVES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2013-03-07 — — WO disclosed
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