SCHEMBL28031776

SCHEMBL28031776

CCCCCCCCCCCCCCCCCCNC(Cc1c[nH]cn1)C(=O)O.[NaH]

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 7/20 0.50
CPB1 P15086 1/20 0.45
NOD1 Q9Y239 1/20 0.38
SLC6A5 Q9Y345 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
FOLH1 Q04609 2/20 0.34
TLR2 O60603 1/20 0.34
NAAA Q02083 3/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33

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
SCHEMBL28032329 1.00 CPB2 (0.50) CPB2CPB1NOD1SLC6A5ALDH1A1
SCHEMBL19138219 0.99 CPB2 (0.51) CPB2CPB1NOD1SLC6A5ALDH1A1
SCHEMBL1667027 0.99 CPB2 (0.51) CPB2CPB1NOD1SLC6A5ALDH1A1
SCHEMBL1667030 0.99 CPB2 (0.51) CPB2CPB1NOD1SLC6A5ALDH1A1
SCHEMBL30978072 0.99 CPB2 (0.51) CPB2CPB1NOD1SLC6A5ALDH1A1
SCHEMBL38650912 0.99 CPB2 (0.51) CPB2CPB1NOD1SLC6A5ALDH1A1
SCHEMBL29503862 0.99 CPB2 (0.51) CPB2CPB1NOD1SLC6A5ALDH1A1
SCHEMBL19138220 0.99 CPB2 (0.51) CPB2CPB1NOD1SLC6A5ALDH1A1
SCHEMBL10009250 0.97 CPB2 (0.52) CPB2CPB1NOD1SLC6A5ALDH1A1
SCHEMBL10009247 0.97 CPB2 (0.52) CPB2CPB1NOD1SLC6A5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104955472-A Fatty acid acylated amino acids for growth hormone delivery NOVO NORDISK HEALTHCARE AG 2015-09-30 CN disclosed