SCHEMBL18504973

SCHEMBL18504973

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.36
NPC1 O15118 1/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
GABRA5 P31644 3/20 0.33
THRB P10828 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KCNK3 O14649 1/20 0.32
KCNK9 Q9NPC2 1/20 0.32
STIM1 Q13586 2/20 0.32
ORAI1 Q96D31 2/20 0.32
TRPC1 P48995 1/20 0.32
TRPC3 Q13507 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 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
SCHEMBL22564498 0.89 PDK2 (0.35) PDK2NPC1MAPTLMNAGABRA5
SCHEMBL18504947 0.88 RORC (0.38) MAPTGABRA5KDM4EPOLBKCNK3
SCHEMBL18504408 0.86 HSD17B10 (0.43) PDK2NPC1MAPTGABRA5KDM4E
SCHEMBL18504968 0.86 MAPT (0.38) PDK2NPC1MAPTLMNAGABRA5
SCHEMBL18504974 0.86 KCNK3 (0.36) PDK2NPC1MAPTLMNAGABRA5
SCHEMBL18504684 0.85 PDK2 (0.34) PDK2NPC1MAPTLMNAGABRA5
SCHEMBL18504678 0.85 GABRA5 (0.37) NPC1MAPTLMNAGABRA5KDM4E
SCHEMBL18504604 0.85 GABRA5 (0.39) GABRA5STIM1ORAI1NR1H4
SCHEMBL18504400 0.84 ALDH1A1 (0.41) PDK2MAPTLMNAGABRA5KDM4E
SCHEMBL18504215 0.84 NPC1 (0.34) PDK2NPC1MAPTLMNAGABRA5

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