SCHEMBL18504684

SCHEMBL18504684

CC(C)OC(=O)c1cccc(SC(F)(F)F)c1COc1ccn(O)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.34
FFAR4 Q5NUL3 3/20 0.34
FFAR1 O14842 1/20 0.34
MAPT P10636 3/20 0.32
LMNA P02545 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
POLB P06746 2/20 0.32
HTT P42858 2/20 0.32
GABRA5 P31644 1/20 0.32
KMT2A Q03164 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NR1H4 Q96RI1 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL22564236 0.89 PDK2 (0.34) PDK2FFAR4FFAR1MAPTLMNA
SCHEMBL18500400 0.89 POLB (0.37) FFAR4LMNAALDH1A1KDM4EPOLB
SCHEMBL18504969 0.88 NPC1 (0.34) MAPTLMNANPC1ALDH1A1KDM4E
SCHEMBL18504660 0.87 TSHR (0.36) PDK2MAPTLMNAALDH1A1KDM4E
SCHEMBL18504673 0.87 ALDH1A1 (0.34) PDK2MAPTLMNANPC1ALDH1A1
SCHEMBL18504665 0.87 NPC1 (0.35) PDK2MAPTLMNANPC1ALDH1A1
SCHEMBL18504423 0.86 HPGD (0.35) MAPTLMNANPC1ALDH1A1KDM4E
SCHEMBL18504920 0.86 FFAR4 (0.37) FFAR4FFAR1GABRA5NR1H4HCRTR1
SCHEMBL18504292 0.85 ALDH1A1 (0.39) PDK2FFAR4LMNAALDH1A1L3MBTL1
SCHEMBL18504973 0.85 PDK2 (0.36) PDK2MAPTLMNANPC1KDM4E

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