SCHEMBL7585934

SCHEMBL7585934

CO/N=C\c1ccccc1O[CH]c1ccccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
GRIN2D O15399 2/20 0.36
GRIN3B O60391 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
GRIN2B Q13224 2/20 0.36
GRIN2C Q14957 2/20 0.36
GRIN3A Q8TCU5 2/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.36
HPGD P15428 4/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL7585936 1.00 ADRA2A (0.41) ADRA2AADRA2BADRA2CGRIN2DGRIN3B
SCHEMBL6076526 0.82 ALDH1A1 (0.46) ADRA2AADRA2BADRA2CALDH1A1TSHR
SCHEMBL6076524 0.82 ALDH1A1 (0.46) ADRA2AADRA2BADRA2CALDH1A1TSHR
SCHEMBL12763871 0.82 ALDH1A1 (0.46) ADRA2AADRA2BADRA2CALDH1A1TSHR
SCHEMBL213164 0.77 GRIN2D (0.56) ADRA2AADRA2BADRA2CGRIN2DGRIN3B
SCHEMBL213165 0.77 GRIN2D (0.56) ADRA2AADRA2BADRA2CGRIN2DGRIN3B
SCHEMBL27878120 0.72 TRPA1 (0.35) ADRA2AADRA2BADRA2CALDH1A1TSHR
SCHEMBL6449354 0.71 ADRA2A (0.57) ADRA2AADRA2BADRA2CGRIN2DGRIN3B
SCHEMBL6449359 0.71 ADRA2A (0.57) ADRA2AADRA2BADRA2CGRIN2DGRIN3B
SCHEMBL10079375 0.70 ADRA2A (0.43) ADRA2AADRA2BADRA2CGRIN2DGRIN3B

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-0946093-B1 FUNGICIDAL COMPOSITIONS BASED ON (N-PHENYLACETYL-N-2,6-XYLYL)METHYL ALANINATE ISAGRO SPA (IT) 2002-08-28 EP claimed