SCHEMBL18504292

SCHEMBL18504292

CCCOC(=O)c1cccc(SC(F)(F)F)c1COc1ccn(O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
PDK2 Q15119 1/20 0.37
TSHR P16473 5/20 0.33
TDP1 Q9NUW8 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP3A4 P08684 2/20 0.32
MAPK1 P28482 2/20 0.32
TP53 P04637 1/20 0.32
JMJD6 Q6NYC1 1/20 0.32
LMNA P02545 2/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
ELANE P08246 2/20 0.31
PRTN3 P24158 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
TBXAS1 P24557 1/20 0.31
ESR1 P03372 1/20 0.30
CHRM1 P11229 1/20 0.30
SLC6A2 P23975 1/20 0.30
KDR P35968 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
SCHEMBL18504660 0.92 TSHR (0.36) ALDH1A1PDK2TSHRTDP1L3MBTL1
SCHEMBL22564012 0.90 ALDH1A1 (0.38) ALDH1A1PDK2TSHRTDP1L3MBTL1
SCHEMBL18500400 0.88 POLB (0.37) ALDH1A1TSHRTDP1L3MBTL1TP53
SCHEMBL18504664 0.88 ALDH1A1 (0.42) ALDH1A1PDK2TSHRTDP1L3MBTL1
SCHEMBL18504658 0.87 ALDH1A1 (0.40) ALDH1A1PDK2TSHRTDP1L3MBTL1
SCHEMBL18504236 0.87 ALDH1A1 (0.41) ALDH1A1PDK2TSHRTDP1L3MBTL1
SCHEMBL18504919 0.86 ALDH1A1 (0.39) ALDH1A1PDK2TSHRTDP1L3MBTL1
SCHEMBL18504684 0.85 PDK2 (0.34) ALDH1A1PDK2L3MBTL1LMNAHCRTR1
SCHEMBL18504400 0.85 ALDH1A1 (0.41) ALDH1A1PDK2TSHRTDP1L3MBTL1
SCHEMBL18504920 0.85 FFAR4 (0.37) HCRTR1HCRTR2FFAR4

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