SCHEMBL5073128

SCHEMBL5073128

COC(=O)CC/C=C/CC(NC(=O)c1ccccc1)(NC(=O)c1ccccc1)C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.54
POLB P06746 2/20 0.40
MAPK1 P28482 2/20 0.38
SRC P12931 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
ESRRB O95718 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PRSS1 P07477 2/20 0.37
CTSG P08311 2/20 0.37
CTRB1 P17538 2/20 0.37
CMA1 P23946 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TBXAS1 P24557 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
SCHEMBL5073130 1.00 AKT1 (0.54) AKT1POLBMAPK1SRCALDH1A1
SCHEMBL5073131 0.81 MAPK1 (0.47) POLBMAPK1ALDH1A1MEN1MAPT
SCHEMBL5855665 0.70 AKT1 (0.54) AKT1POLBMAPK1ALDH1A1MEN1
SCHEMBL5855669 0.70 AKT1 (0.54) AKT1POLBMAPK1ALDH1A1MEN1
SCHEMBL6756531 0.69 AKT1 (0.60) AKT1ALDH1A1KDM4E
SCHEMBL6758547 0.69 AKT1 (0.60) AKT1ALDH1A1KDM4E
SCHEMBL6756532 0.69 AKT1 (0.60) AKT1ALDH1A1KDM4E
SCHEMBL19452350 0.68 AKT1 (0.62) AKT1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7571411 0.68 AKT1 (0.62) AKT1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5858423 0.68 MAPK1 (0.48) POLBMAPK1ALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984385-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS MONASH UNIVERSITY (AU) 2008-10-29 EP disclosed
EP-1984386-A1 METHODS FOR THE SYNTHESIS OF TWO OR MORE DICARBA BRIDGES IN ORGANIC COMPOUNDS Monash University (AU) 2008-10-29 EP disclosed
WO-2007093014-A1 METHODS FOR THE SYNTHESIS OF TWO OR MORE DICARBA BRIDGES IN ORGANIC COMPOUNDS MONASH UNIVERSITY (AU) 2007-08-23 WO disclosed
WO-2007093013-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS MONASH UNIVERSITY (AU) 2007-08-23 WO disclosed