SCHEMBL2407992

SCHEMBL2407992

O=C1CCC(=O)C[C](O)C1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.38
TRIM24 O15164 2/20 0.33
TRIM33 Q9UPN9 2/20 0.33
ALDH1A1 P00352 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
SCHEMBL73117 0.76
SCHEMBL9989026 0.76
SCHEMBL28147240 0.74
SCHEMBL8022297 0.72 TRIM24 (0.50) CYP2A6TRIM24TRIM33ALDH1A1
SCHEMBL118264 0.72 CYP2A6 (0.43) CYP2A6TRIM24TRIM33ALDH1A1
SCHEMBL9066344 0.72 TRIM24 (0.50) CYP2A6TRIM24TRIM33ALDH1A1
SCHEMBL9627922 0.72
SCHEMBL501836 0.72
SCHEMBL8998614 0.69 CYP2A6 (0.41) CYP2A6TRIM24TRIM33ALDH1A1
Acetone SCHEMBL7712372 0.67 LMNA (0.38) CYP2A6TRIM24TRIM33ALDH1A1

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
WO-2011104625-A1 CYCLOPOLYSACCHARIDE COMPOSITIONS SUPRATEK PHARMA, INC. (CA) 2011-09-01 WO claimed
EP-2595660-A2 BENDAMUSTINE ANIONIC-CATIOINIC CYCLOPOLYSACCHARIDE COMPOSITIONS Supratek Pharma, Inc. (CA) 2013-05-29 EP disclosed
WO-2012127277-A2 BENDAMUSTINE ANIONIC-CATIOINIC CYCLOPOLYSACCHARIDE COMPOSITIONS SUPRATEK PHARMA, INC. (CA) 2012-09-27 WO disclosed
WO-2011104625-A1 CYCLOPOLYSACCHARIDE COMPOSITIONS SUPRATEK PHARMA, INC. (CA) 2011-09-01 WO disclosed