SCHEMBL30880355

SCHEMBL30880355

COC(=O)/C=C/CCCC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
MAPT P10636 2/20 0.41
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TYR P14679 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
OXER1 Q8TDS5 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TTR P02766 1/20 0.35
APP P05067 1/20 0.35
PTPN1 P18031 1/20 0.33
ALOX5 P09917 1/20 0.33
PLA2G4A P47712 1/20 0.33
FAAH O00519 3/20 0.33
CES1 P23141 2/20 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
SCHEMBL14349835 0.90 HCAR2 (0.46) HCAR2KEAP1NFE2L2MAPTCA12
SCHEMBL29626505 0.83 HCAR2 (0.57) HCAR2KEAP1NFE2L2MAPTCA12
SCHEMBL31681514 0.81 HCAR2 (0.55) HCAR2KEAP1NFE2L2MAPTALDH1A1
SCHEMBL29626440 0.81 HCAR2 (0.55) HCAR2KEAP1NFE2L2MAPTALDH1A1
SCHEMBL5023381 0.78 HCAR2 (0.50) HCAR2KEAP1NFE2L2MAPTCA1
SCHEMBL9527552 0.78 HCAR2 (0.50) HCAR2KEAP1NFE2L2MAPTOXER1
SCHEMBL1716947 0.78 HCAR2 (0.50) HCAR2KEAP1NFE2L2MAPTCA12
SCHEMBL1879680 0.78 HCAR2 (0.50) HCAR2KEAP1NFE2L2MAPTOXER1
SCHEMBL1583861 0.78 HCAR2 (0.50) HCAR2KEAP1NFE2L2MAPTCA1
SCHEMBL1716949 0.78 HCAR2 (0.50) HCAR2KEAP1NFE2L2MAPTCA12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4626876-A1 MICROBIOCIDAL TETRAHYDROISOQUINOLINE DERIVATIVES Syngenta Crop Protection AG (CH) 2025-10-08 EP disclosed
WO-2024115509-A1 MICROBIOCIDAL TETRAHYDROISOQUINOLINE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2024-06-06 WO disclosed