SCHEMBL5623219

SCHEMBL5623219

O=C=C1NCCCC1C(=O)NO

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
POLB P06746 2/20 0.33
KLK5 Q9Y337 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
SIRT1 Q96EB6 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CCR2 P41597 2/20 0.31

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
SCHEMBL159111 0.80 L3MBTL1 (0.40) L3MBTL1HTTALDH1A1POLBKLK5
Water SCHEMBL28162895 0.79 L3MBTL1 (0.39) L3MBTL1HTTALDH1A1POLBMEN1
SCHEMBL3457896 0.79 L3MBTL1 (0.39) L3MBTL1HTTALDH1A1KLK5KMT2A
SCHEMBL27651779 0.78 L3MBTL1 (0.36) L3MBTL1HTTALDH1A1POLBKLK5
SCHEMBL27598052 0.70
SCHEMBL25345420 0.68 GABRP (0.32)
Water SCHEMBL28102893 0.68 L3MBTL1 (0.31) L3MBTL1
SCHEMBL27678881 0.66
SCHEMBL22015866 0.64 L3MBTL1 (0.44) L3MBTL1HTTALDH1A1HDAC8HDAC6
SCHEMBL27849084 0.64 L3MBTL1 (0.39) L3MBTL1HTTALDH1A1POLBMEN1

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
JP-2007509075-A 2007-04-12 JP claimed
EP-1678167-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES Incyte Corporation (US) 2006-07-12 EP claimed
WO-2005037826-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES INCYTE CORPORATION (US) 2005-04-28 WO claimed