SCHEMBL6282319

SCHEMBL6282319

O=C1CCCC1=O.O=C1CCCC1=O.[H-].[H-].[Zr+2]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
CRBN Q96SW2 1/20 0.39
TRIM24 O15164 2/20 0.38
TRIM33 Q9UPN9 2/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
CYP2A6 P11509 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 2/20 0.32
PRKCI P41743 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL289021 0.91
SCHEMBL6573461 0.87
SCHEMBL29663753 0.87
SCHEMBL4269106 0.87
SCHEMBL33935 0.82
SCHEMBL17971494 0.82 TRIM24 (0.54) ALDH1A1CRBNTRIM24TRIM33MAOA
Water SCHEMBL28338483 0.78 TRIM24 (0.50) ALDH1A1CRBNTRIM24TRIM33MAOA
SCHEMBL9576029 0.78 ALDH1A1 (0.57) ALDH1A1CRBNTRIM24TRIM33MAOA
SCHEMBL1552637 0.78
SCHEMBL4279279 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6929787-B2 Composite and manufacturing method thereof KURARAY CO., LTD. (JP) 2005-08-16 US disclosed
US-20020111269-A1 Composite and manufacturing method thereof KURARAY CO. LTD. (JP) 2002-08-15 US disclosed