Sugi Predict

Sugi Predict / Compounds / SCHEMBL14753928

SCHEMBL14753928

SCHEMBL14753928

CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)Cc2nc3cc(S(=O)(=O)O)cc(F)c3[nH]2)N(C)C(=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 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPIA P62937 11/20 0.74
▸ PPIB P23284 2/20 0.72
▸ PPIC P45877 1/20 0.72
▸ ABCB1 P08183 7/20 0.63
▸ PPP3CA Q08209 4/20 0.63
▸ MEN1 O00255 1/20 0.63
▸ NPC1 O15118 1/20 0.63
▸ ABCC3 O15438 1/20 0.63
▸ GMNN O75496 1/20 0.63
▸ USP2 O75604 1/20 0.63
▸ SLCO2B1 O94956 1/20 0.63
▸ ABCB11 O95342 1/20 0.63
▸ LMNA P02545 1/20 0.63
▸ POLB P06746 1/20 0.63
▸ CYP3A4 P08684 1/20 0.63
▸ MAPT P10636 1/20 0.63
▸ RARB P10826 1/20 0.63
▸ CYP2C9 P11712 1/20 0.63
▸ CYP3A5 P20815 1/20 0.63
▸ TACR2 P21452 1/20 0.63

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
SCHEMBL14753921 0.91 PPIA (0.82) PPIAPPIBPPICABCB1PPP3CA
SCHEMBL17950970 0.89 PPIA (0.70) PPIAPPIBPPICABCB1PPP3CA
SCHEMBL14753929 0.89 PPIA (0.70) PPIAPPIBPPICABCB1PPP3CA
SCHEMBL14753924 0.88 PPIA (0.78) PPIAPPIBPPICABCB1PPP3CA
SCHEMBL14754007 0.87 PPIA (0.81) PPIAPPIBPPICABCB1PPP3CA
SCHEMBL14753972 0.86 PPIA (0.77) PPIAPPIBPPICABCB1PPP3CA
SCHEMBL17951015 0.86 PPIA (0.77) PPIAPPIBPPICABCB1PPP3CA
SCHEMBL17951008 0.86 PPIA (0.84) PPIAPPIBPPICABCB1PPP3CA
SCHEMBL14754006 0.85 PPIA (0.86) PPIAPPIBPPICABCB1PPP3CA
SCHEMBL14754017 0.84 PPIA (0.82) PPIAPPIBPPICABCB1PPP3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9453051-B2 Cyclosporin derivatives MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2016-09-27 — — US disclosed
EP-2751127-B1 CYCLOSPORIN DERIVATIVES MAX PLANCK GES ZUR FÖRDERUNG DER WISSENSCHAFTEN E V (DE) 2016-07-27 — — EP disclosed
WO-2013030208-A1 CYCLOSPORIN DERIVATIVES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2013-03-07 — — WO disclosed
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