SCHEMBL3420360

SCHEMBL3420360

COC1=CC(=O)C(=O)C(C(C)(C)C)=C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
ATM Q13315 3/20 0.55
ALDH1A1 P00352 3/20 0.55
CES2 O00748 1/20 0.55
PKM P14618 1/20 0.55
HPGD P15428 1/20 0.55
CES1 P23141 1/20 0.55
MPI P34949 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MCL1 Q07820 1/20 0.39
KMT2A Q03164 3/20 0.38
NPC1 O15118 1/20 0.38
GPR35 Q9HC97 1/20 0.38
ERBB2 P04626 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PTPN1 P18031 1/20 0.33
HKDC1 Q2TB90 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32

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
SCHEMBL396841 0.71 ATM (1.00) MAPTATMALDH1A1CES2PKM
SCHEMBL8614888 0.70 MAPT (0.59) MAPTATMALDH1A1CES2PKM
SCHEMBL4064234 0.68
SCHEMBL15759639 0.65 MAPT (0.50) MAPTATMALDH1A1CES2PKM
SCHEMBL5587421 0.65 ATM (0.43) MAPTATMALDH1A1CES2PKM
SCHEMBL158561 0.65 HKDC1 (0.43) MAPTATMALDH1A1CES2PKM
SCHEMBL359232 0.64 ATM (0.52) MAPTATMALDH1A1CES2PKM
SCHEMBL853674 0.64 MAPT (0.52) MAPTATMALDH1A1CES2PKM
SCHEMBL49783 0.63 MAPT (0.50) MAPTATMALDH1A1CES2PKM
Methane SCHEMBL21391655 0.62 ATM (0.50) MAPTATMALDH1A1CES2PKM

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-10585325-B2 Photo-thermally induced polymerization inhibitors for electrophoretic media E INK CALIFORNIA, LLC (US) 2020-03-10 US disclosed
WO-2018164863-A1 PHOTO-THERMALLY INDUCED POLYMERIZATION INHIBITORS FOR ELECTROPHORETIC MEDIA E INK CALIFORNIA, LLC (US) 2018-09-13 WO disclosed
US-20180259823-A1 PHOTO-THERMALLY INDUCED POLYMERIZATION INHIBITORS FOR ELECTROPHORETIC MEDIA E INK CORPORATION 2018-09-13 US disclosed
US-20100129723-A1 NON-AQUEOUS ELECTROLYTE FOR PRIMARY BATTERY, AND NON-AQUEOUS ELECTROLYTE PRIMARY BATTERY USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2010-05-27 US disclosed
EP-1933404-A1 NON-AQUEOUS ELECTROLYTE FOR PRIMARY BATTERY, AND NON-AQUEOUS ELECTROLYTE PRIMARY BATTERY USING THE SAME Mitsubishi Chemical Corporation (JP) 2008-06-18 EP disclosed