SCHEMBL30138657

SCHEMBL30138657

CCOC(/C=C/c1ccc(F)c(C(F)(F)F)c1)OCC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.35
PTPN1 P18031 1/20 0.33
AR P10275 3/20 0.32
TUBB1 Q9H4B7 1/20 0.32
NFE2L2 Q16236 1/20 0.32
FFAR1 O14842 1/20 0.32
KCNN4 O15554 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
KCNH2 Q12809 1/20 0.32
RXRA P19793 2/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
KIF11 P52732 1/20 0.31
PTPN7 P35236 1/20 0.31
DUSP3 P51452 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 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
SCHEMBL21996056 1.00 APP (0.35) APPPTPN1ARTUBB1NFE2L2
SCHEMBL21996054 1.00 APP (0.35) APPPTPN1ARTUBB1NFE2L2
SCHEMBL30739641 0.79 TRPA1 (0.42) TUBB1NFE2L2SLC6A4
SCHEMBL18144160 0.79 TRPA1 (0.42) TUBB1NFE2L2SLC6A4
SCHEMBL18144158 0.79 TRPA1 (0.42) TUBB1NFE2L2SLC6A4
SCHEMBL23933309 0.74 PPARG (0.44) NFE2L2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL23933308 0.74 PPARG (0.44) NFE2L2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL29110066 0.73 APP (0.42) APPARNFE2L2KIF11
SCHEMBL29110062 0.73 APP (0.42) APPARNFE2L2KIF11
SCHEMBL28117960 0.73 KIF11 (0.42) APPARKCNN4HTR2ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115485260-A Processes related to the formation of aryl cyclopropyl carboxylic acids 科迪华农业科技有限责任公司 2022-12-16 CN claimed
CN-117603014-A Meta-diamide compounds for controlling invertebrate pests FMC公司 2024-02-27 CN disclosed
CN-115485260-A Processes related to the formation of aryl cyclopropyl carboxylic acids 科迪华农业科技有限责任公司 2022-12-16 CN disclosed