SCHEMBL18504976

SCHEMBL18504976

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.34
KDM4E B2RXH2 2/20 0.33
POLB P06746 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GABRA5 P31644 1/20 0.33
ALDH1A1 P00352 2/20 0.33
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
PDK2 Q15119 1/20 0.32
CA12 O43570 3/20 0.32
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA7 P43166 3/20 0.32
CA9 Q16790 3/20 0.32
CA14 Q9ULX7 3/20 0.32
NR1H4 Q96RI1 2/20 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
SCHEMBL18504297 0.91 NPC1 (0.36) MAPTLMNANPC1KDM4EPOLB
SCHEMBL18504522 0.89 KDM4E (0.36) MAPTLMNAKDM4EPOLBNPSR1
SCHEMBL22563880 0.88 MAPT (0.36) MAPTLMNANPC1KDM4EPOLB
SCHEMBL18504624 0.87 TSHR (0.39) POLBNPSR1L3MBTL1GABRA5ALDH1A1
SCHEMBL18504968 0.87 MAPT (0.38) MAPTLMNANPC1KDM4EPOLB
SCHEMBL18504678 0.86 GABRA5 (0.37) MAPTLMNANPC1KDM4EPOLB
SCHEMBL18503083 0.85 NR1H4 (0.36) ALDH1A1NR1H4KMT2AKLKB1
SCHEMBL18504432 0.85 ALDH1A1 (0.41) LMNAL3MBTL1ALDH1A1PDK2KMT2A
SCHEMBL18504977 0.85 LMNA (0.35) MAPTLMNANPC1KDM4EPOLB
SCHEMBL18500756 0.85 KDM4E (0.35) MAPTLMNANPC1KDM4EPOLB

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