SCHEMBL5604725

SCHEMBL5604725

C[C@H](N)C(=O)OCC(O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CYP3A4 P08684 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
PMP22 Q01453 1/20 0.32

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
SCHEMBL722410 0.82 TSHR (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL722409 0.82 TSHR (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4761853 0.82 TSHR (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL1314862 0.80 TSHR (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL4415250 0.80 TSHR (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL18954375 0.80 TSHR (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28701903 0.79 LMNA (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2781384 0.79 LMNA (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9911693 0.79 TSHR (0.34) TSHRMAPT
SCHEMBL16274255 0.78 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-2007116986-A1 THERMOSET RESIN COMPOSITION SHOWA DENKO K. K. (JP) 2007-10-18 WO disclosed