SCHEMBL3675645

SCHEMBL3675645

C/C(=C\CCCCCCN)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 3/20 0.45
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PLG P00747 1/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
SLC6A2 P23975 1/20 0.37
RECQL P46063 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SLC6A5 Q9Y345 2/20 0.36
EP300 Q09472 1/20 0.35
FAAH O00519 3/20 0.35
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL16353966 1.00 PAOX (0.45) PAOXMAOAMAOBMEN1KMT2A
SCHEMBL3508075 1.00 PAOX (0.45) PAOXMAOAMAOBMEN1KMT2A
SCHEMBL16353965 1.00 PAOX (0.45) PAOXMAOAMAOBMEN1KMT2A
SCHEMBL6530955 0.98 PAOX (0.41) PAOXMAOAMAOBMEN1KMT2A
SCHEMBL230134 0.91 PAOX (0.38) PAOXMEN1KMT2AALDH1A1PLG
SCHEMBL116656 0.91 PAOX (0.38) PAOXMEN1KMT2AALDH1A1PLG
SCHEMBL1672722 0.91 EP300 (0.40) MEN1KMT2AALDH1A1LMNAALOX15
SCHEMBL11508435 0.91 EP300 (0.40) MEN1KMT2AALDH1A1LMNAALOX15
SCHEMBL9128382 0.91 EP300 (0.40) MEN1KMT2AALDH1A1LMNAALOX15
SCHEMBL674968 0.91 EP300 (0.40) MEN1KMT2AALDH1A1LMNAALOX15

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-1889857-B1 NOVEL PACKING MATERIAL WITH EXCELLENT HYDROPHILICITY AND PROCESS FOR PRODUCING THE SAME TOSOH CORP (JP) 2010-07-21 EP claimed
EP-0811161-A1 SPECIFIC BINDING MATERIALS THE MINISTER OF AGRICULTURE FISHERIES AND FOOD IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN (GB) 1997-12-10 EP disclosed
WO-1996026440-A1 SPECIFIC BINDING MATERIALS THE MINISTER OF AGRICULTURE FISHERIES AND FOOD IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1996-08-29 WO disclosed