SCHEMBL15623802

SCHEMBL15623802

CC(N)C(=O)NCCCCCCN

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.60
GNAO1 P09471 1/20 0.60
GNAI1 P63096 1/20 0.60
PAOX Q6QHF9 2/20 0.59
RRM1 P23921 1/20 0.54
DPP7 Q9UHL4 2/20 0.51
SIRT6 Q8N6T7 1/20 0.50
SIRT1 Q96EB6 1/20 0.50
ALDH1A2 O94788 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ALDH2 P05091 1/20 0.47
ALDH1A3 P47895 1/20 0.47
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
TLR2 O60603 1/20 0.42
SLC6A5 Q9Y345 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
CHRND Q07001 5/20 0.41

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
SCHEMBL8350906 0.98 GNAI3 (0.57) GNAI3GNAO1GNAI1PAOXRRM1
SCHEMBL8354456 0.92 DPP7 (0.50) GNAI3GNAO1GNAI1PAOXRRM1
SCHEMBL15623812 0.92 ALDH1A2 (0.54) GNAI3GNAO1GNAI1PAOXRRM1
SCHEMBL12085650 0.87 PAOX (0.49) GNAI3GNAO1GNAI1PAOXRRM1
SCHEMBL14357861 0.87 PAOX (0.49) GNAI3GNAO1GNAI1PAOXRRM1
SCHEMBL20922219 0.87 PAOX (0.49) GNAI3GNAO1GNAI1PAOXRRM1
SCHEMBL14228092 0.86 PAOX (0.61) GNAI3GNAO1GNAI1PAOXRRM1
SCHEMBL15858573 0.86 PAOX (0.61) GNAI3GNAO1GNAI1PAOXRRM1
SCHEMBL17175237 0.86 PAOX (0.61) GNAI3GNAO1GNAI1PAOXRRM1
SCHEMBL23071838 0.85 GNAI3 (0.50) GNAI3GNAO1GNAI1PAOXRRM1

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-20140117280-A1 OXYGEN ABSORBER MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-05-01 US disclosed
EP-2711077-A1 OXYGEN ABSORBER Mitsubishi Gas Chemical Company, Inc. (JP) 2014-03-26 EP disclosed