SCHEMBL28008261

SCHEMBL28008261

CCCCCOC(=O)CCCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.62
ALOX5 P09917 1/20 0.57
DGKA P23743 1/20 0.56
MAPK1 P28482 2/20 0.53
LMNA P02545 2/20 0.53
TSHR P16473 2/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
HDAC3 O15379 1/20 0.51
ADRA1A P35348 1/20 0.51
HDAC4 P56524 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51

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
SCHEMBL25319096 0.98 TDP1 (0.60) TDP1ALOX5DGKAMAPK1LMNA
SCHEMBL19119202 0.98 TDP1 (0.60) TDP1ALOX5DGKAMAPK1LMNA
SCHEMBL28234266 0.98 TDP1 (0.60) TDP1ALOX5DGKAMAPK1LMNA
SCHEMBL22806669 0.98 TDP1 (0.60) TDP1ALOX5DGKAMAPK1LMNA
SCHEMBL28008713 0.95 TDP1 (0.60) TDP1ALOX5DGKAMAPK1LMNA
SCHEMBL22518642 0.95 TDP1 (0.64) TDP1ALOX5DGKAMAPK1LMNA
SCHEMBL17578805 0.94 DGKA (0.62) TDP1ALOX5DGKAMAPK1LMNA
SCHEMBL16215015 0.94 DGKA (0.62) TDP1ALOX5DGKAMAPK1LMNA
SCHEMBL25200176 0.94 DGKA (0.62) TDP1ALOX5DGKAMAPK1LMNA
SCHEMBL17779387 0.94 DGKA (0.62) TDP1ALOX5DGKAMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104412441-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2015-03-11 CN disclosed