SCHEMBL28604358

SCHEMBL28604358

CCOC(=O)c1cnn(Cc2cccc(OC(C)=O)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
GRM2 Q14416 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 2/20 0.45
KLKB1 P03952 5/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42
KIF11 P52732 1/20 0.40
MAPT P10636 1/20 0.40
CNR2 P34972 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39

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
SCHEMBL30119596 1.00 KMT2A (0.48) KMT2AMEN1GRM2SMN1; SMN2HPGD
SCHEMBL4771423 0.89 MEN1 (0.62) KMT2AMEN1GRM2SMN1; SMN2HPGD
SCHEMBL28587535 0.84 SMN1; SMN2 (0.50) KMT2AMEN1GRM2SMN1; SMN2HPGD
SCHEMBL30119622 0.84 SMN1; SMN2 (0.50) KMT2AMEN1GRM2SMN1; SMN2HPGD
SCHEMBL4767882 0.83 GRM2 (0.56) KMT2AGRM2SMN1; SMN2HPGDKLKB1
SCHEMBL553848 0.82 ALDH1A1 (0.60) GRM2SMN1; SMN2ALDH1A1KLKB1LMNA
SCHEMBL28912972 0.81 GRM2 (0.45) KMT2AMEN1GRM2SMN1; SMN2HPGD
SCHEMBL1546755 0.81 GRM2 (0.50) KMT2AMEN1GRM2SMN1; SMN2HPGD
SCHEMBL24236702 0.81 KLKB1 (0.47) KMT2AMEN1GRM2SMN1; SMN2HPGD
SCHEMBL28912961 0.81 GRM2 (0.45) KMT2AMEN1GRM2SMN1; SMN2HPGD

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-115460921-A Fungicidal halomethyl ketones and hydrates and mixtures thereof FMC公司 2022-12-09 CN disclosed
CN-113015433-A Fungicidal halomethyl ketones and hydrates FMC公司 2021-06-22 CN disclosed