SCHEMBL16955643

SCHEMBL16955643

C=Cc1cccc(OC(F)(F)F)c1OC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
NFE2L2 Q16236 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MPL P40238 1/20 0.32
SCN9A Q15858 2/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TRPA1 O75762 1/20 0.31
MAOB P27338 1/20 0.30
KCNK3 O14649 1/20 0.30
KCNK9 Q9NPC2 1/20 0.30
HCAR1 Q9BXC0 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
SCHEMBL16962157 0.88 ALDH1A1 (0.37) ALDH1A1
SCHEMBL16958619 0.88 NFE2L2 (0.46) KDM4ENFE2L2MAOBKCNK3KCNK9
SCHEMBL16960343 0.84 KCNK3 (0.40) NFE2L2ALDH1A1KCNK3KCNK9
SCHEMBL16956744 0.84 GSK3A (0.37) NFE2L2ALDH1A1
SCHEMBL16958235 0.84 L3MBTL1 (0.37) ALDH1A1
SCHEMBL16951128 0.83 GAA (0.36) CCR3PTGES2KDM4EGAANFE2L2
SCHEMBL4292103 0.82 CCR3 (0.41) CCR3PTGES2GAAALDH1A1MPL
SCHEMBL16470387 0.81 SRC (0.41) PTGES2KDM4EGAAALDH1A1NPSR1
SCHEMBL16955869 0.81 ALDH1A1 (0.32) ALDH1A1
SCHEMBL16958972 0.81 PTGES2 (0.35) CCR3PTGES2KDM4EGAAALDH1A1

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
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed