SCHEMBL13086406

SCHEMBL13086406

CC(=O)Oc1ccccc1C(=O)OCOC(=O)c1ccc(OCC(CON(O)O)ON(O)O)c(OC(=O)C(NC(=O)OC(C)(C)C)C(C)O)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SRC P12931 2/20 0.32
AAK1 Q2M2I8 4/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
ADRB2 P07550 1/20 0.31
ADRB1 P08588 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
SCHEMBL13085766 0.90 PTGS2 (0.34) KDM4EMEN1HPGDKMT2AHSD17B10
SCHEMBL13086316 0.85 PTGS2 (0.34) KDM4EMEN1HPGDKMT2AHSD17B10
SCHEMBL13086588 0.84 SRC (0.38) SRCAAK1HDAC3HDAC4HDAC1
SCHEMBL13086370 0.83 EPHX2 (0.37) KDM4EMEN1HPGDKMT2AHSD17B10
SCHEMBL13086453 0.83 PTGS2 (0.38) KDM4EMEN1HPGDKMT2AHSD17B10
SCHEMBL13086319 0.78 PTGS2 (0.35) KDM4EMEN1HPGDKMT2AHSD17B10
SCHEMBL13237202 0.77 PTGS2 (0.40) KDM4EMEN1HPGDKMT2AHSD17B10
SCHEMBL13086444 0.76 PTGS2 (0.36) KDM4EMEN1HPGDKMT2AHSD17B10
SCHEMBL13086253 0.76 MAPT (0.35) KDM4EMEN1HPGDKMT2AHSD17B10
SCHEMBL13085764 0.75 PTGS2 (0.38) KDM4EMEN1HPGDKMT2AHSD17B10

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-2010118968-A1 NO-DONOR ASPIRIN DERIVATIVES NICOX S.A. (FR) 2010-10-21 WO disclosed