SCHEMBL28028701

SCHEMBL28028701

COc1ccc(C(O)CF)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.59
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
GAA P10253 2/20 0.51
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
IGF1R P08069 1/20 0.43
SLC5A2 P31639 1/20 0.42
ACP3 P15309 1/20 0.42

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
SCHEMBL327629 0.83 AOC3 (0.63) AOC3ALDH1A1MAPTGAACA12
SCHEMBL4372787 0.81 AOC3 (0.61) AOC3ALDH1A1MAPTGAACA12
SCHEMBL2517919 0.81 AOC3 (0.61) AOC3ALDH1A1MAPTGAACA12
SCHEMBL6482817 0.81 AOC3 (0.61) AOC3ALDH1A1MAPTGAACA12
SCHEMBL3930580 0.81 AOC3 (0.61) AOC3ALDH1A1MAPTGAACA12
SCHEMBL615718 0.81 AOC3 (0.61) AOC3ALDH1A1MAPTGAACA12
SCHEMBL17660055 0.81 AOC3 (0.61) AOC3ALDH1A1MAPTGAACA12
SCHEMBL31621817 0.80 AOC3 (0.47) AOC3ALDH1A1MAPTGAACA12
SCHEMBL930984 0.79 AOC3 (0.59) AOC3ALDH1A1MAPTGAACA12
SCHEMBL10903587 0.79 AOC3 (0.59) AOC3ALDH1A1MAPTGAACA12

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
CN-105025715-B Pesticidal compositions and methods related thereto 美国陶氏益农公司 2018-11-16 CN disclosed
CN-104981154-A Pesticidal compositions and methods related thereto DOW AGROSCIENCES LLC 2015-10-14 CN disclosed