SCHEMBL28058571

SCHEMBL28058571

CC(C)n1c(C(=O)O)n[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.36
KDM4E B2RXH2 1/20 0.34
HCRTR1 O43613 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HCAR3 P49019 2/20 0.34
HCAR2 Q8TDS4 1/20 0.34
B3GNT2 Q9NY97 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
MTOR P42345 1/20 0.30

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
SCHEMBL31118070 0.74 ALOX15 (0.33) ALDH1A1HCAR3HCAR2TDP1
SCHEMBL12245706 0.69 KDM4E (0.34) POLBKDM4EHCRTR1ALDH1A1GAA
SCHEMBL18659487 0.67 KDM4E (0.35) POLBKDM4EHCRTR1ALDH1A1GAA
SCHEMBL18587617 0.65 KDM4E (0.34) POLBKDM4EHCRTR1ALDH1A1GAA
SCHEMBL1833932 0.65 POLB (0.47) POLBKDM4EHCRTR1ALDH1A1GAA
SCHEMBL12245715 0.63 KDM4E (0.32) KDM4EHCRTR1ALDH1A1GAAMAPT
SCHEMBL10963172 0.62 ALDH1A1 (0.35) POLBKDM4EHCRTR1ALDH1A1GAA
SCHEMBL11168799 0.62 KDM4E (0.34) POLBKDM4EHCRTR1ALDH1A1GAA
SCHEMBL10963167 0.62 KDM4E (0.35) POLBKDM4EHCRTR1ALDH1A1GAA
SCHEMBL11166937 0.62 MAPT (0.34) POLBKDM4EHCRTR1ALDH1A1GAA

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
CN-105473558-A Aryl sulfide derivatives and aryl sulfoxide derivatives as acaricides and insecticides BAYER CROPSCIENCE AG 2016-04-06 CN disclosed