SCHEMBL9102786

SCHEMBL9102786

CC(O)COC(=O)CCCC(=O)OOC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.56
MAPK1 P28482 1/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
DUSP3 P51452 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
ENPP2 Q13822 3/20 0.34
LPAR6 P43657 1/20 0.34
LPAR1 Q92633 1/20 0.34
LPAR4 Q99677 1/20 0.34
LPAR5 Q9H1C0 1/20 0.34

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
SCHEMBL6661063 0.93 MAPT (0.50) MAPTMAPK1LMNAKDM4EDUSP3
SCHEMBL822246 0.84 MAPT (0.74) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL11413523 0.82 TSHR (0.46) LMNATSHRALDH1A1TDP1DGKA
SCHEMBL821850 0.80 MAPT (0.81) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL18411662 0.79 MAPT (0.59) MAPTMAPK1LMNAKDM4EDUSP3
SCHEMBL822169 0.78 MAPT (0.85) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL821851 0.78 MAPT (0.85) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL822254 0.78 MAPT (0.85) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL821856 0.78 MAPT (0.85) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL1326440 0.78 TSHR (0.40) MAPTMAPK1LMNATSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5451654-A Addition polymerization catalyst ELF ATOCHEM NORTH AMERICA, INC. (US) 1995-09-19 US disclosed
US-5387654-A Hydroxy-peroxides and their uses ELF ATOCHEM NORTH AMERICA, INC. (US) 1995-02-07 US disclosed
EP-0381135-B1 Novel hydroxy-peroxides and their uses ATOCHEM NORTH AMERICA (US) 1994-06-01 EP disclosed
US-5304649-A Curing agent for unsaturated polyesters ELF ATOCHEM NORTH AMERICA, INC. (US) 1994-04-19 US disclosed
EP-0381135-A2 Novel hydroxy-peroxides and their uses ATOCHEM NORTH AMERICA, INC. (US) 1990-08-08 EP disclosed