SCHEMBL23044882

SCHEMBL23044882

CCCOC(=O)C(C)NC=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.38
ADH1B P00325 2/20 0.37
ADH1C P00326 2/20 0.37
ADH1A P07327 2/20 0.37
ADH4 P08319 1/20 0.37
ADH7 P40394 1/20 0.37
CNR1 P21554 1/20 0.37
DAGLA Q9Y4D2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 4/20 0.33
ALPG P10696 1/20 0.33
PPARG P37231 1/20 0.33
HTT P42858 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.32
ATM Q13315 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 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
SCHEMBL11026074 1.00 HCAR2 (0.38) HCAR2ADH1BADH1CADH1AADH4
SCHEMBL17287125 0.89 ATM (0.47) HCAR2ADH1BADH1CADH1AADH4
SCHEMBL6826472 0.89 ATM (0.47) HCAR2ADH1BADH1CADH1AADH4
SCHEMBL6826471 0.89 ATM (0.47) HCAR2ADH1BADH1CADH1AADH4
SCHEMBL5527208 0.83 MGAM (0.41) ADH1BADH1CADH1AADH4ADH7
SCHEMBL7060302 0.83 MGAM (0.41) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11028935 0.82 CA12 (0.38) ADH1BADH1CADH1AADH4ADH7
SCHEMBL14412682 0.79 ADH1B (0.39) ADH1BADH1CADH1AADH4ADH7
SCHEMBL7495917 0.78 HCAR2 (0.37) HCAR2ADH1BADH1CADH1AADH4
SCHEMBL16390280 0.78 ABCB11 (0.34) ADH1BADH1CADH1ACNR1DAGLA

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-2021037022-A1 METHOD FOR PREPARING 4-METHYL-5-ALKOXY OXAZOLE 山东新和成精化科技有限公司 2021-03-04 WO disclosed