SCHEMBL28580467

SCHEMBL28580467

COc1cc(C2Cc3cc4ccccc4cc3OC2=O)cc(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.48
MAPT P10636 4/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 1/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL28582479 0.78 GAA (0.46) ALDH1A1MAPTHPGDGAAPOLB
SCHEMBL28907445 0.74 ALDH1A1 (0.50) ALDH1A1MAPTHPGDPOLBMEN1
SCHEMBL28555018 0.72 CYP19A1 (0.55) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL705946 0.69 CYP19A1 (0.52) ALDH1A1MAPTHPGDPOLBMEN1
SCHEMBL3357789 0.68 ALOX15 (0.57) ALDH1A1MAPTHPGDPOLBMEN1
SCHEMBL9719064 0.67 PTAFR (0.55) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL9719047 0.67 PTAFR (0.55) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL9719028 0.67 PTAFR (0.55) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL4340420 0.67 ALDH1A1 (0.74) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL14389073 0.66 ALDH1A1 (0.52) ALDH1A1MAPTHPGDPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113016806-B Application of coumarin derivatives in preventing and treating plant viruses, killing bacteria and killing insects 南开大学 2022-05-24 CN claimed
CN-113016806-A Application of coumarin derivatives in preventing and treating plant viruses, killing bacteria and killing insects 南开大学 2021-06-25 CN claimed
CN-113016806-B Application of coumarin derivatives in preventing and treating plant viruses, killing bacteria and killing insects 南开大学 2022-05-24 CN disclosed
CN-113016806-A Application of coumarin derivatives in preventing and treating plant viruses, killing bacteria and killing insects 南开大学 2021-06-25 CN disclosed