SCHEMBL22564043

SCHEMBL22564043

CCc1cccc(C(=O)OC(C)C)c1COc1ccn(S)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
JMJD6 Q6NYC1 1/20 0.34
MAPT P10636 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
KDM4E B2RXH2 3/20 0.34
POLB P06746 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GABRA5 P31644 1/20 0.34
ALDH1A1 P00352 5/20 0.33
LMNA P02545 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA7 P43166 3/20 0.33
CA9 Q16790 3/20 0.33
CA14 Q9ULX7 3/20 0.33
NR1H4 Q96RI1 2/20 0.33

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
SCHEMBL22563968 0.93 NPC1 (0.33) NPC1JMJD6MAPTNPSR1KDM4E
SCHEMBL22564036 0.92 NPC1 (0.34) NPC1JMJD6MAPTNPSR1KDM4E
SCHEMBL22563861 0.88 GABRA5 (0.36) NPC1JMJD6MAPTNPSR1KDM4E
SCHEMBL18504972 0.88 NPC1 (0.36) NPC1JMJD6MAPTNPSR1KDM4E
SCHEMBL22564171 0.88 ALDH1A1 (0.39) NPC1MAPTNPSR1KDM4EL3MBTL1
SCHEMBL22564006 0.87 MAPT (0.35) NPC1JMJD6MAPTNPSR1KDM4E
SCHEMBL22564484 0.87 NPC1 (0.35) NPC1JMJD6MAPTNPSR1KDM4E
SCHEMBL22564237 0.87 NR1H4 (0.39) NPC1JMJD6MAPTNPSR1KDM4E
SCHEMBL22564293 0.87 MAPT (0.37) NPC1JMJD6MAPTNPSR1KDM4E
SCHEMBL22564030 0.87 NPC1 (0.35) NPC1JMJD6MAPTNPSR1KDM4E

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