SCHEMBL5073131

SCHEMBL5073131

CCOC(=O)C(CC=CCCC(=O)O)(NC(=O)c1ccccc1)NC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.47
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 1/20 0.39
RECQL P46063 1/20 0.39
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL5073128 0.81 AKT1 (0.54) MAPK1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL5073130 0.81 AKT1 (0.54) MAPK1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL5858423 0.73 MAPK1 (0.48) MAPK1KMT2AMEN1ATMSMN1; SMN2
SCHEMBL5858418 0.73 MAPK1 (0.48) MAPK1KMT2AMEN1ATMSMN1; SMN2
SCHEMBL5855427 0.72 MAPK1 (0.47) MAPK1KMT2AMEN1ATMSMN1; SMN2
SCHEMBL5855413 0.72 MAPK1 (0.47) MAPK1KMT2AMEN1ATMSMN1; SMN2
SCHEMBL5856073 0.72 MAPK1 (0.45) MAPK1KMT2AMEN1ATMSMN1; SMN2
SCHEMBL621763 0.69 ALDH1A1 (0.52) MAPK1KMT2AMEN1ATMSMN1; SMN2
SCHEMBL16097184 0.69 MAPK1 (0.51) MAPK1KMT2AMEN1ATMSMN1; SMN2
SCHEMBL14338622 0.68 ALDH1A1 (0.46) MAPK1KMT2AMEN1ATMSMN1; SMN2

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