SCHEMBL8773335

SCHEMBL8773335

CC(=O)OC=CC(COC(C)=O)OC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 3/20 0.35
USP2 O75604 2/20 0.35
CYP3A4 P08684 2/20 0.35
RECQL P46063 1/20 0.35
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 1/20 0.33
GALR3 O60755 1/20 0.33
BLM P54132 1/20 0.33
ALOX15 P16050 1/20 0.32
CHRM1 P11229 2/20 0.31
CHRM5 P08912 1/20 0.31
CHRM3 P20309 1/20 0.31
HPGD P15428 1/20 0.31
PRKCA P17252 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31

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
SCHEMBL6908867 0.84 TSHR (0.41) TDP1SMN1; SMN2MAPTLMNAUSP2
SCHEMBL26108607 0.80 TDP1 (0.41) TDP1SMN1; SMN2MAPTLMNAUSP2
SCHEMBL755814 0.80 TDP1 (0.47) TDP1SMN1; SMN2MAPTLMNAUSP2
SCHEMBL10948272 0.80 TDP1 (0.47) TDP1SMN1; SMN2MAPTLMNAUSP2
SCHEMBL10948262 0.80 TDP1 (0.47) TDP1SMN1; SMN2MAPTLMNAUSP2
SCHEMBL27799241 0.78 TDP1 (0.37) TDP1SMN1; SMN2MAPTLMNAUSP2
SCHEMBL28104973 0.78 TDP1 (0.39) TDP1SMN1; SMN2MAPTLMNAUSP2
SCHEMBL10954857 0.77 TDP1 (0.44) TDP1SMN1; SMN2MAPTLMNAUSP2
SCHEMBL10954863 0.77 TDP1 (0.44) TDP1SMN1; SMN2MAPTLMNAUSP2
SCHEMBL10525928 0.75 TDP1 (0.50) TDP1SMN1; SMN2MAPTLMNAUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0625503-B1 Process for preparing diacetoxybutene MITSUBISHI CHEM CORP (JP) 1997-09-03 EP disclosed
US-5429721-A Process for preparing diacetoxybutene MITSUBISHI CHEMICAL CORPORATION (JP) 1995-07-04 US disclosed
EP-0625503-A1 Process for preparing diacetoxybutene Mitsubishi Chemical Corporation (JP) 1994-11-23 EP disclosed