SCHEMBL2344189

SCHEMBL2344189

CCCCCCCCCCCCCC(=O)N(CCC[C@H](N)C(=O)O)C(=N)N

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.55
NOS3 P29474 2/20 0.55
NOS2 P35228 2/20 0.55
NOD1 Q9Y239 10/20 0.46
DDAH1 O94760 2/20 0.45
GRIK1 P39086 2/20 0.42
GRIK2 Q13002 2/20 0.42
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
FFAR1 O14842 1/20 0.39

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
SCHEMBL4406494 0.87 NOD1 (0.46) NOS1NOS3NOS2NOD1FFAR4
SCHEMBL9314969 0.86 NOD1 (0.50) NOS1NOD1DDAH1GRIK1GRIK2
SCHEMBL4238352 0.86 NOD1 (0.50) NOS1NOD1DDAH1GRIK1GRIK2
SCHEMBL7770236 0.86 NOD1 (0.50) NOS1NOD1DDAH1GRIK1GRIK2
SCHEMBL16443785 0.86 NOD1 (0.41) NOS1NOS3NOS2NOD1
Acetic Acid SCHEMBL28464650 0.83 KDM5A (0.44) FFAR4FFAR1
Acetic Acid SCHEMBL30634533 0.83 KDM5A (0.44) FFAR4FFAR1
Acetic Acid SCHEMBL28365803 0.83 KDM5A (0.44) FFAR4FFAR1
SCHEMBL4242241 0.81 GSR (0.54) NOD1DDAH1GRIK1GRIK2SLC1A2
Octadecylamine SCHEMBL2156922 0.81 GSR (0.54) NOD1DDAH1GRIK1GRIK2SLC1A2

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
EP-1264590-B1 Cosmetic composition AJINOMOTO KK (JP) 2011-08-24 EP disclosed