SCHEMBL1668136

SCHEMBL1668136

COC(=O)C1CCCCC1CNC(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
LMNA P02545 1/20 0.48
CTSD P07339 1/20 0.47
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL1666992 0.81 ALDH1A1 (0.46) HPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL1666291 0.80 HPGD (0.52) HPGDLMNACTSDALDH1A1L3MBTL1
SCHEMBL15099937 0.80 HPGD (0.52) HPGDLMNACTSDALDH1A1L3MBTL1
SCHEMBL1666294 0.80 HPGD (0.52) HPGDLMNACTSDALDH1A1L3MBTL1
SCHEMBL12986958 0.72 ALDH1A1 (0.49) HPGDLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL9268117 0.72 HPGD (0.62) HPGDLMNACTSDALDH1A1HTT
SCHEMBL22447716 0.71 DRD2 (0.44) HPGDKDM4E
SCHEMBL13753006 0.71 CTSD (0.68) HPGDLMNACTSDALDH1A1L3MBTL1
SCHEMBL8117817 0.71 CTSD (0.68) HPGDLMNACTSDALDH1A1L3MBTL1
SCHEMBL13162537 0.71 ALDH1A1 (0.53) HPGDCTSDALDH1A1L3MBTL1HTT

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
EP-2485728-A1 WNT PATHWAY ANTAGONISTS Siena Biotech S.p.a. (IT) 2012-08-15 EP disclosed
WO-2011042145-A1 WNT PATHWAY ANTAGONISTS SIENA BIOTECH S.P.A. (IT) 2011-04-14 WO disclosed