SCHEMBL28197210

SCHEMBL28197210

CCOC(=O)c1ccc(C=C[N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 10/20 0.60
TLR4 O00206 1/20 0.56
TLR2 O60603 1/20 0.56
EGFR P00533 4/20 0.54
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
ESR1 P03372 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
ESR2 Q92731 1/20 0.51
CA14 Q9ULX7 1/20 0.51
LMNA P02545 4/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
S1PR4 O95977 1/20 0.50

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
SCHEMBL10618582 0.84 CA1 (0.66) CA12CA1CA2ESR1CA7
SCHEMBL9717141 0.84 CA1 (0.66) CA12CA1CA2ESR1CA7
SCHEMBL9717146 0.84 CA1 (0.66) CA12CA1CA2ESR1CA7
SCHEMBL205715 0.83 EGFR (0.73) FBP1EGFRLMNAALDH1A1MAPT
SCHEMBL205716 0.83 EGFR (0.73) FBP1EGFRLMNAALDH1A1MAPT
SCHEMBL13235600 0.80 FBP1 (0.65) FBP1EGFRLMNAALDH1A1MAPT
SCHEMBL27856170 0.79 CA1 (0.59) CA12CA1CA2ESR1CA7
SCHEMBL18911129 0.79 CA1 (0.59) CA12CA1CA2ESR1CA7
SCHEMBL6691534 0.78 ALDH1A1 (0.68) FBP1EGFRLMNAALDH1A1MAPT
SCHEMBL10657629 0.78 FBP1 (0.53) FBP1EGFRCA12CA1CA2

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-104981154-B Pesticidal compositions and methods related thereto 美国陶氏益农公司 2018-01-26 CN disclosed