SCHEMBL18504652

SCHEMBL18504652

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
MRGPRX4 Q96LA9 3/20 0.35
DHODH Q02127 1/20 0.34
KDM4A O75164 1/20 0.34
KDM5A P29375 1/20 0.34
NR1H4 Q96RI1 3/20 0.33
SCN9A Q15858 2/20 0.33
APEX1 P27695 1/20 0.33
HSD17B13 Q7Z5P4 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
KCNH2 Q12809 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
GABRA5 P31644 1/20 0.32
RBP4 P02753 1/20 0.32
KCNK3 O14649 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
SCHEMBL18504989 0.90 RXRA (0.34) RXRARXRBRXRGSCN9AKCNK3
SCHEMBL18504763 0.90 RXRA (0.36) RXRARXRBRXRGMRGPRX4NR1H4
SCHEMBL18504727 0.90 SCN9A (0.41) RXRARXRBRXRGSCN9AKMT2A
SCHEMBL18504661 0.88 HDAC1 (0.40) RXRARXRBRXRGSCN9AKCNK3
SCHEMBL18504239 0.88 KCNK3 (0.37) MRGPRX4GABRA5KCNK3KCNK9ALDH1A1
SCHEMBL22563835 0.88 RXRA (0.39) RXRARXRBRXRGMRGPRX4DHODH
SCHEMBL18504801 0.87 KCNK3 (0.35) RXRARXRBRXRGSCN9AKCNK3
SCHEMBL18504672 0.86 SCN9A (0.41) MRGPRX4SCN9AGABRA5ALDH1A1HCRTR1
SCHEMBL18504578 0.86 APEX1 (0.34) MRGPRX4NR1H4APEX1ALDH1A1KMT2A
SCHEMBL18504974 0.85 KCNK3 (0.36) RXRARXRBRXRGNR1H4SCN9A

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