SCHEMBL8564688

SCHEMBL8564688

CC(=O)OC1COCC1OC(=O)COc1cc(N)c(F)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPOX P50336 1/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TSHR P16473 1/20 0.34
FKBP1A P62942 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
SCN9A Q15858 3/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
MAPK1 P28482 1/20 0.32
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
MKNK2 Q9HBH9 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.30
KMT2A Q03164 1/20 0.30
MAPT P10636 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL8599627 0.79 PPOX (0.46) PPOXLMNATDP1L3MBTL1TSHR
SCHEMBL8569183 0.79 PPOX (0.49) PPOX
SCHEMBL8603429 0.77 PPOX (0.47) PPOXLMNATDP1L3MBTL1TSHR
SCHEMBL8563862 0.77 PPOX (0.43) PPOXLMNAL3MBTL1FKBP1AGAA
SCHEMBL8603307 0.76 LMNA (0.65) PPOXLMNATDP1L3MBTL1TSHR
SCHEMBL7533766 0.74 PPOX (0.56) PPOXLMNATDP1L3MBTL1TSHR
SCHEMBL8597226 0.74 PPOX (0.33) PPOXLMNAALDH1A1KMT2AMAPT
SCHEMBL8562759 0.74 PPOX (0.33) PPOX
SCHEMBL8562763 0.74 PPOX (0.33) PPOX
SCHEMBL8560956 0.73 PPOX (0.40) PPOXLMNAL3MBTL1TSHRGAA

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
EP-0548593-B1 Tetrahydrofuran derivative and herbicide containing the same as effective ingredient MITSUBISHI CHEM CORP (JP) 1998-04-22 EP disclosed
US-5405828-A Selective pre- and postemergence herbicides MITSUBISHI KASEI CORPORATION (JP) 1995-04-11 US disclosed
US-5324709-A Safety on crops MITSUBISHI KASEI CORPORATION (JP) 1994-06-28 US disclosed
EP-0548593-A1 Tetrahydrofuran derivative and herbicide containing the same as effective ingredient Mitsubishi Chemical Corporation (JP) 1993-06-30 EP disclosed