SCHEMBL27768202

SCHEMBL27768202

CCCCC[CH]C(C)CC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
EP300 Q09472 1/20 0.38
CES2 O00748 1/20 0.38
TERT O14746 3/20 0.37
PTPN1 P18031 3/20 0.37
PPARG P37231 3/20 0.37
PPARD Q03181 3/20 0.37
PPARA Q07869 3/20 0.37
CYP1A2 P05177 2/20 0.37
MAPT P10636 2/20 0.37
CYP2C19 P33261 2/20 0.37
BLM P54132 2/20 0.37
HSD17B10 Q99714 2/20 0.37
FABP4 P15090 2/20 0.37
FAAH O00519 2/20 0.37
KMT2A Q03164 2/20 0.37
GMNN O75496 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL28778927 0.94 ALDH1A1 (0.41) TDP1ALDH1A1EP300CES2F7
SCHEMBL11514252 0.78 GPR84 (0.42) TDP1TERTPTPN1PPARGPPARD
SCHEMBL27535086 0.77 ALDH1A1 (0.44) TDP1ALDH1A1LMNA
SCHEMBL233313 0.75 EP300 (0.45) TDP1EP300TERTPTPN1PPARG
SCHEMBL232260 0.75 EP300 (0.45) TDP1EP300TERTPTPN1PPARG
SCHEMBL27984797 0.75 EP300 (0.45) TDP1EP300TERTPTPN1PPARG
SCHEMBL1785829 0.74 CYP3A4 (0.41) TDP1ALDH1A1TERTCYP1A2MAPT
SCHEMBL1785831 0.74 CYP3A4 (0.41) TDP1ALDH1A1TERTCYP1A2MAPT
SCHEMBL28067461 0.73 F7 (0.38) TDP1ALDH1A1CES2CYP1A2MAPT
Methyl Isobutyl Ketone SCHEMBL2340589 0.73 ALDH1A1 (0.74) TDP1ALDH1A1CES2FAAHKMT2A

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
CN-101473462-B Organic device CANON KK 2011-11-16 CN disclosed
CN-102157690-A Device CANON KK 2011-08-17 CN disclosed
CN-101473462-A Device with a metal layer CANON KK (JP) 2009-07-01 CN disclosed