SCHEMBL290078

SCHEMBL290078

CCN1CCCC1N(C)[C]=O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
SIGMAR1 Q99720 2/20 0.31
HTT P42858 1/20 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
SCHEMBL21400923 0.82 SIGMAR1 (0.36) ALDH1A1L3MBTL1SIGMAR1HTT
SCHEMBL9874179 0.76 SIGMAR1 (0.34) ALDH1A1SIGMAR1
SCHEMBL15652741 0.75 ALDH1A1 (0.33) ALDH1A1L3MBTL1SIGMAR1
SCHEMBL290079 0.74 ADH1A (0.39) ALDH1A1L3MBTL1SIGMAR1HTT
SCHEMBL16495171 0.73 ALDH1A1 (0.40) ALDH1A1L3MBTL1SIGMAR1HTT
SCHEMBL19924569 0.71 ALDH1A1 (0.39) ALDH1A1L3MBTL1SIGMAR1HTT
SCHEMBL6823815 0.69 CYP1A2 (0.32)
SCHEMBL9660545 0.68
SCHEMBL27634677 0.67 SIGMAR1 (0.30) ALDH1A1SIGMAR1
SCHEMBL21400927 0.67 ALDH1A1 (0.30) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427447-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION Pike Pharma GmbH (CH) 2012-03-14 EP claimed
WO-2010128163-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2010-11-11 WO claimed
EP-2427447-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION Pike Pharma GmbH (CH) 2012-03-14 EP disclosed
WO-2010128163-A3 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2011-01-06 WO disclosed
WO-2010128163-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2010-11-11 WO disclosed