SCHEMBL15210329

SCHEMBL15210329

CN(C)CC(=O)O.Cn1cncc1CC(N)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.43
GRIA4 P48058 7/20 0.39
GRIA1 P42261 7/20 0.39
GRIA3 P42263 7/20 0.39
GRIA2 P42262 6/20 0.39
NOS1 P29475 3/20 0.38
SLC7A5 Q01650 2/20 0.38
CYP3A4 P08684 1/20 0.38
HSD17B10 Q99714 1/20 0.35
ALPI P09923 1/20 0.33
PKM P14618 1/20 0.33
PTGS1 P23219 1/20 0.33
XIAP P98170 1/20 0.33
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
GRIK3 Q13003 1/20 0.33
GRIK4 Q16099 1/20 0.33
GRIK5 Q16478 1/20 0.33
BHMT Q93088 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
SCHEMBL15210330 1.00 SLC1A3 (0.43) SLC1A3GRIA4GRIA1GRIA3GRIA2
Azelaic Acid SCHEMBL16540080 0.93 NOS1 (0.38) SLC1A3GRIA4GRIA1GRIA3GRIA2
Azelaic Acid SCHEMBL16540078 0.93 NOS1 (0.38) SLC1A3GRIA4GRIA1GRIA3GRIA2
SCHEMBL8824882 0.89 SLC1A3 (0.51) SLC1A3GRIA4GRIA1GRIA3GRIA2
SCHEMBL8824879 0.89 SLC1A3 (0.51) SLC1A3GRIA4GRIA1GRIA3GRIA2
SCHEMBL28559 0.89 SLC1A3 (0.51) SLC1A3GRIA4GRIA1GRIA3GRIA2
SCHEMBL4587261 0.89 SLC1A3 (0.51) SLC1A3GRIA4GRIA1GRIA3GRIA2
SCHEMBL28560 0.89 SLC1A3 (0.51) SLC1A3GRIA4GRIA1GRIA3GRIA2
Hydrochloric Acid SCHEMBL7049998 0.87 SLC1A3 (0.50) SLC1A3GRIA4GRIA1GRIA3GRIA2
Sarcosine SCHEMBL16540745 0.82 SLC1A3 (0.43) SLC1A3GRIA4GRIA1GRIA3GRIA2

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
WO-2013125675-A1 COMBINED ANTICANCER DRUG SENSITIVITY-DETERMINING MARKER 学校法人慶應義塾 (JP) 2013-08-29 WO disclosed