SCHEMBL27564321

SCHEMBL27564321

COC(=O)C(=O)NCCC(F)=C(F)F

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
TGFBR1 P36897 1/20 0.32
TSHR P16473 1/20 0.31
PLA2G2A P14555 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
SCHEMBL8530840 0.83 PLA2G2A (0.31) PLA2G2A
SCHEMBL8530923 0.77 PLA2G2A (0.32) PLA2G2A
SCHEMBL8527901 0.75 GAA (0.36)
SCHEMBL9112416 0.74 KDM4E (0.48) TSHR
SCHEMBL27536224 0.73 KDM4E (0.38)
SCHEMBL17373958 0.73 EGLN1 (0.56) TET2EGLN1TGFBR1TSHRPLA2G2A
SCHEMBL26751646 0.72 EGLN1 (0.54) TET2EGLN1TGFBR1
SCHEMBL18459815 0.72 TET2 (0.54) TET2EGLN1PLA2G2A
SCHEMBL9114630 0.71 MEN1 (0.54) TSHR
SCHEMBL8533062 0.70 TDP1 (0.33) TSHR

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
CN-1269136-A Fluoric alkenyl compound and use as insect repellent agent MONSANTO CO (US) 2000-10-11 CN disclosed