SCHEMBL18504972

SCHEMBL18504972

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
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 0.34
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
LMNA P02545 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
HTT P42858 3/20 0.33
KMT2A Q03164 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
SCHEMBL18504272 0.94 NPC1 (0.34) NPC1MAPTNPSR1KDM4EPOLB
SCHEMBL18504215 0.91 NPC1 (0.34) NPC1MAPTNPSR1KDM4EPOLB
SCHEMBL22564043 0.88 NPC1 (0.35) NPC1MAPTNPSR1KDM4EPOLB
SCHEMBL18504678 0.88 GABRA5 (0.37) NPC1MAPTNPSR1KDM4EPOLB
SCHEMBL18504394 0.87 ALDH1A1 (0.39) MAPTNPSR1KDM4EPOLBL3MBTL1
SCHEMBL18500756 0.87 KDM4E (0.35) NPC1MAPTNPSR1KDM4EPOLB
SCHEMBL18504293 0.87 NR1H4 (0.40) NPC1MAPTNPSR1KDM4EPOLB
SCHEMBL18504390 0.87 NPC1 (0.36) NPC1MAPTNPSR1KDM4EPOLB
SCHEMBL18504968 0.87 MAPT (0.38) NPC1MAPTNPSR1KDM4EPOLB
SCHEMBL18504297 0.87 NPC1 (0.36) NPC1MAPTNPSR1KDM4EPOLB

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
US-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 US disclosed