SCHEMBL2373365

SCHEMBL2373365

CCC(C)(C)/C=C(/NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.38
CTSS P25774 6/20 0.38
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
CA1 P00915 2/20 0.34
CA7 P43166 2/20 0.34
CA12 O43570 1/20 0.34
CA14 Q9ULX7 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CA2 P00918 1/20 0.33
MIF P14174 1/20 0.32
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL18762595 0.85 CTSK (0.36) CTSKCTSSMAPTMEN1GAA
SCHEMBL18762597 0.85 CTSK (0.36) CTSKCTSSMAPTMEN1GAA
SCHEMBL3043930 0.82 CTSK (0.37) CTSKCTSSMAPTMEN1GAA
SCHEMBL3043929 0.82 CTSK (0.37) CTSKCTSSMAPTMEN1GAA
SCHEMBL3043925 0.82 CTSK (0.37) CTSKCTSSMAPTMEN1GAA
SCHEMBL15525384 0.79 MEN1 (0.37) CTSKCTSSMEN1GAAKMT2A
SCHEMBL20240615 0.78
SCHEMBL10011981 0.77 CA12 (0.37) CTSKCTSSMEN1GAAKMT2A
SCHEMBL16594101 0.75 CTSK (0.37) CTSKCTSSMAPTMEN1GAA
SCHEMBL16594102 0.75 CTSK (0.37) CTSKCTSSMAPTMEN1GAA

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
EP-2007794-B1 LYSOBACTIN AMIDES AICURIS GMBH & CO KG (DE) 2011-09-14 EP disclosed
EP-2007794-A1 LYSOBACTIN AMIDES AiCuris GmbH & Co. KG (DE) 2008-12-31 EP disclosed
WO-2007118691-A1 LYSOBACTIN AMIDES AICURIS GMBH & CO. KG (DE) 2007-10-25 WO disclosed