SCHEMBL2367173

SCHEMBL2367173

COC(=O)C(Cc1ccc(OC)c(NC(=O)OC(C)(C)C)c1)N(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SYK P43405 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
ACHE P22303 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
BACE1 P56817 4/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
TP53 P04637 1/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL2367746 1.00 KMT2A (0.46) KMT2AMEN1L3MBTL1SYKCA1
SCHEMBL4082634 0.95 KMT2A (0.46) KMT2AMEN1L3MBTL1SYKCA1
SCHEMBL4082629 0.95 KMT2A (0.46) KMT2AMEN1L3MBTL1SYKCA1
SCHEMBL2367119 0.86 MGLL (0.45) KMT2AMEN1SYKSMN1; SMN2BACE1
SCHEMBL27745756 0.82 KLK5 (0.51) KMT2AMEN1L3MBTL1SYKITGA4
SCHEMBL2367000 0.82 KLK5 (0.51) KMT2AMEN1L3MBTL1SYKITGA4
SCHEMBL4082106 0.80 ALDH1A1 (0.53) KMT2AMEN1SYKITGA4ITGB7
SCHEMBL4082673 0.80 ALDH1A1 (0.53) KMT2AMEN1SYKITGA4ITGB7
SCHEMBL4089152 0.80 ALDH1A1 (0.53) KMT2AMEN1SYKITGA4ITGB7
SCHEMBL3045973 0.79 MGLL (0.46) KMT2AMEN1SYKSMN1; SMN2BACE1

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
EP-2007794-B1 LYSOBACTIN AMIDES AICURIS GMBH & CO KG (DE) 2011-09-14 EP disclosed