SCHEMBL22564049

SCHEMBL22564049

COc1cccc(C(=O)OC(C)C)c1COc1ccn(S)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 3/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
POLB P06746 2/20 0.35
TP53 P04637 1/20 0.35
NPC1 O15118 1/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
JMJD6 Q6NYC1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GABRA5 P31644 1/20 0.33
SLC16A3 O15427 1/20 0.33
SLC16A1 P53985 1/20 0.33
F2 P00734 1/20 0.33
ATP4A P20648 1/20 0.33
ATP4B P51164 1/20 0.33
ADRA1D P25100 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
SCHEMBL22564503 0.92 IRAK4 (0.35) SMN1; SMN2LMNAALDH1A1HTTPOLB
SCHEMBL22564006 0.91 MAPT (0.35) LMNAUSP2ALDH1A1HTTPOLB
SCHEMBL22563866 0.90 MAPT (0.35) SMN1; SMN2LMNAALDH1A1HTTPOLB
SCHEMBL22563971 0.89 MAPT (0.40) SMN1; SMN2LMNAALDH1A1HTTNPC1
SCHEMBL22564217 0.89 LMNA (0.35) SMN1; SMN2LMNAALDH1A1HTTPOLB
SCHEMBL18504688 0.88 SMN1; SMN2 (0.37) SMN1; SMN2LMNAUSP2ALDH1A1HTT
SCHEMBL22563881 0.88 KCNK3 (0.36) LMNAPOLBNPC1MAPTL3MBTL1
SCHEMBL22563861 0.87 GABRA5 (0.36) SMN1; SMN2LMNAALDH1A1HTTPOLB
SCHEMBL22564043 0.86 NPC1 (0.35) LMNAUSP2ALDH1A1HTTPOLB
SCHEMBL22564293 0.86 MAPT (0.37) LMNAALDH1A1POLBNPC1MAPT

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-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed