SCHEMBL8105959

SCHEMBL8105959

CCOC(=O)C(C(C)=O)c1ccccc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.47
PLIN1 O60240 1/20 0.47
MAPT P10636 1/20 0.47
PLIN5 Q00G26 1/20 0.47
ABHD5 Q8WTS1 1/20 0.47
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MMP8 P22894 1/20 0.45
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
PIN1 Q13526 1/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 2/20 0.41
TSHR P16473 2/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 2/20 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
SCHEMBL2003346 0.92 MEN1 (0.50) POLBMEN1KMT2ALMNAPLIN1
SCHEMBL27598322 0.88 ALDH1A1 (0.49) POLBKMT2AHTTNPSR1L3MBTL1
SCHEMBL29114668 0.87 POLB (0.40) POLBMEN1KMT2ALMNAPLIN1
SCHEMBL10727471 0.82 ITGA4 (0.45) POLBMEN1KMT2ALMNAPLIN1
SCHEMBL9738865 0.81 CASP1 (0.55) MEN1KMT2ALMNAMMP8PIN1
SCHEMBL7057074 0.80 KMT2A (0.43) POLBMEN1KMT2ALMNAPLIN1
SCHEMBL22144400 0.80 MEN1 (0.49) POLBMEN1KMT2ALMNAPLIN1
SCHEMBL22283800 0.80 MEN1 (0.49) POLBMEN1KMT2ALMNAPLIN1
SCHEMBL11263712 0.80 KMT2A (0.49) POLBMEN1KMT2ALMNAPLIN1
SCHEMBL1717566 0.79 MMP8 (0.51) POLBMEN1KMT2ALMNAMAPT

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-109942523-B Benzofuran and benzofuran coumarin derivatives, and preparation method and application thereof 华东师范大学 2023-06-09 CN disclosed
US-6046135-A FOR CONTROLLING WEEDS RHONE-POULENC AGRICULTURE LTD (GB) 2000-04-04 US disclosed
EP-0866788-A1 1,3-OXAZIN-4-ONE DERIVATIVES AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1998-09-30 EP disclosed
WO-1997021688-A1 1,3-OXAZIN-4-ONE DERIVATIVES AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-06-19 WO disclosed