SCHEMBL5697663

SCHEMBL5697663

NC(CN1C=CC=CC1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 7/20 0.36
GRIA2 P42262 7/20 0.36
GRIA4 P48058 7/20 0.36
GRIK5 Q16478 6/20 0.36
CYP1A2 P05177 4/20 0.36
KDM4E B2RXH2 3/20 0.36
GRIA3 P42263 3/20 0.36
TYR P14679 1/20 0.34
DOHH Q9BU89 1/20 0.34
SLC7A11 Q9UPY5 2/20 0.33
PTGS1 P23219 2/20 0.33
GSR P00390 2/20 0.33
BLM P54132 2/20 0.33
KMT2A Q03164 2/20 0.33
GRM5 P41594 2/20 0.33
GRM1 Q13255 2/20 0.33
GRM3 Q14832 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL5697664 1.00 GRIA1 (0.36) GRIA1GRIA2GRIA4GRIK5CYP1A2
SCHEMBL26667588 0.77 NOS1 (0.32)
Lysine SCHEMBL28422011 0.75 GSR (0.54) CYP1A2GSRBLMCYP3A4DPP7
SCHEMBL5326600 0.73 KDM4E (0.38) GRIA1GRIA2GRIA4GRIK5CYP1A2
Asparagine SCHEMBL27748103 0.73 SLC1A2 (0.39) GRIA4GRIK5GRIK1SLC1A3SLC1A2
SCHEMBL5322480 0.71 GRIA1 (0.41) GRIA1GRIA2GRIA4GRIK5CYP1A2
SCHEMBL3740352 0.71 HTT (0.30)
Lactic Acid SCHEMBL27658241 0.70 TP53 (0.38)
Acetic Acid SCHEMBL28550252 0.70
SCHEMBL4022987 0.69 KDM4E (0.32) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1205542-B1 L-amino acid oxidase from Rhodococcus DEGUSSA (DE) 2006-08-02 EP disclosed
US-6461841-B2 USED TO SELECTIVELY TRANSFORM THE L-PORTION OF A RACEMIC MIXTURE OF AN AMINO ACID INTO KETO ACID, AND THUS PURIFY THE CORRESPONDING D-AMINO ACID DEGUSSA AG (DE) 2002-10-08 US disclosed
EP-1205542-A1 L-amino acid oxidase from Rhodococcus Degussa AG (DE) 2002-05-15 EP disclosed