SCHEMBL8740249

SCHEMBL8740249

CCOC(=O)/C=C/C(=O)OOC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.55
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 8/20 0.42
ATM Q13315 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
LMNA P02545 3/20 0.38
MDM2 Q00987 2/20 0.38
ALDH1A1 P00352 3/20 0.38
TTR P02766 1/20 0.37
DPP4 P27487 1/20 0.37
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MDM4 O15151 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL9244750 0.89 HCAR2 (0.52) HCAR2NPSR1MAPTATMCA12
SCHEMBL9244753 0.89 HCAR2 (0.52) HCAR2NPSR1MAPTATMCA12
SCHEMBL8740204 0.85 HCAR2 (0.41) HCAR2ATMALDH1A1
SCHEMBL28362080 0.85 HCAR2 (0.41) HCAR2ATMALDH1A1
SCHEMBL8740155 0.85 HCAR2 (0.41) HCAR2ATMALDH1A1
SCHEMBL8616207 0.82 ATM (0.69) HCAR2NPSR1MAPTATMALDH1A1
Diethyl Maleate SCHEMBL2015896 0.80 HCAR2 (0.80) HCAR2NPSR1MAPTATMCA12
Diethyl Maleate SCHEMBL42602 0.80 HCAR2 (0.80) HCAR2NPSR1MAPTATMCA12
Diethyl Maleate SCHEMBL43033 0.80 HCAR2 (0.80) HCAR2NPSR1MAPTATMCA12
Diethyl Maleate SCHEMBL60423 0.80 HCAR2 (0.80) HCAR2NPSR1MAPTATMCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5644004-A Multi-component ethylenically unsaturated peroxyesters ELF ATOCHEM NORTH AMERICA, INC. (US) 1997-07-01 US disclosed
US-5420173-A Curing unsaturated polyesters and peroxyester compositions ARKEMA INC. 1995-05-30 US disclosed