SCHEMBL6853833

SCHEMBL6853833

CCCOC(C)n1cnc(C(=O)OC)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
ADRB3 P13945 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GLA P06280 2/20 0.34
GAA P10253 2/20 0.34
HPGD P15428 2/20 0.34
MAPK1 P28482 2/20 0.34
CASP1 P29466 2/20 0.34
CASP7 P55210 2/20 0.34
HSD17B10 Q99714 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 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
SCHEMBL6855527 0.92 GAA (0.38) NOTUMADRB3TMEM97HRH3ALDH1A1
SCHEMBL6854964 0.89 NOTUM (0.40) NOTUMADRB3TMEM97HRH3KDM4E
SCHEMBL6855762 0.88 MAPT (0.37) NOTUMKDM4ESMN1; SMN2TDP1MAPT
SCHEMBL6855298 0.80 NPSR1 (0.39) KDM4EALDH1A1GAAMAPK1HSD17B10
SCHEMBL12410700 0.79 NOTUM (0.46) NOTUMADRB3TMEM97HRH3KDM4E
SCHEMBL6853568 0.78 NOTUM (0.41) NOTUMADRB3TMEM97HRH3ALDH1A1
SCHEMBL6849824 0.77 MAPT (0.39) KDM4EALDH1A1SMN1; SMN2TDP1MAPT
SCHEMBL6857956 0.75 NOTUM (0.39) NOTUMADRB3TMEM97HRH3KDM4E
SCHEMBL6855538 0.74 MAPT (0.37) KDM4EALDH1A1SMN1; SMN2TDP1MAPT
SCHEMBL24267919 0.70 MAPK1 (0.51) NOTUMALDH1A1MAPK1SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831177-B1 Preparation of their intermediates, 2-acyl-5-benzylfuran derivatives and 1,2,4-triazole-3- carboxylic acid ester derivatives SHIONOGI & CO., LTD. (JP) 2004-12-14 US disclosed
EP-1186599-A1 NOVEL PROCESSES FOR THE PREPARATION OF SUBSTITUTED PROPENONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2002-03-13 EP disclosed