SCHEMBL18504239

SCHEMBL18504239

COC(=O)c1cccc(OC(F)(F)F)c1COc1ccn(O)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 3/20 0.37
KCNK9 Q9NPC2 3/20 0.37
MRGPRX4 Q96LA9 2/20 0.37
MBOAT4 Q96T53 1/20 0.35
F2R P25116 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SSTR4 P31391 1/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
GABRA5 P31644 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 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
SCHEMBL18504672 0.90 SCN9A (0.41) MRGPRX4MAPTTP53POLBALDH1A1
SCHEMBL18504974 0.89 KCNK3 (0.36) KCNK3KCNK9F2RMAPTPOLB
SCHEMBL22564482 0.88 KCNK3 (0.36) KCNK3KCNK9MRGPRX4MBOAT4F2R
SCHEMBL18504652 0.88 RXRA (0.39) KCNK3KCNK9MRGPRX4KMT2AALDH1A1
SCHEMBL18504662 0.88 ALDH1A1 (0.40) F2RMAPTTP53TDP1ALDH1A1
SCHEMBL18504188 0.88 MAPT (0.40) MEN1KMT2AMAPTTP53POLB
SCHEMBL18504661 0.87 HDAC1 (0.40) KCNK3KCNK9F2RKDM4EGAA
SCHEMBL18504727 0.87 SCN9A (0.41) MEN1KMT2A
SCHEMBL18500068 0.87 KMT2A (0.35) MEN1KMT2AMAPTTP53POLB
SCHEMBL18504989 0.87 RXRA (0.34) KCNK3KCNK9F2RSSTR4HCRTR1

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