SCHEMBL28008237

SCHEMBL28008237

CCCC(=O)OOc1ccccc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.46
L3MBTL1 Q9Y468 5/20 0.45
TDP1 Q9NUW8 2/20 0.45
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPK1 P28482 3/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
KMT2A Q03164 2/20 0.42
PKM P14618 1/20 0.42
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
ADRB2 P07550 1/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL8353039 0.88 SOAT1 (0.52) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL34470443 0.84 KDM4E (0.53) KDM4EL3MBTL1TDP1ALDH1A1SMN1; SMN2
SCHEMBL2390126 0.84 KDM4E (0.53) KDM4EL3MBTL1TDP1ALDH1A1SMN1; SMN2
SCHEMBL27345094 0.79 AOC2 (0.43) KDM4EL3MBTL1TDP1LMNARXRA
SCHEMBL3729774 0.78 L3MBTL1 (0.47) KDM4EL3MBTL1TDP1ALDH1A1SMN1; SMN2
SCHEMBL10975745 0.78 MEN1 (0.39) KDM4EL3MBTL1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL27602777 0.78 ALDH1A1 (0.48) KDM4EL3MBTL1TDP1ALDH1A1SMN1; SMN2
SCHEMBL534828 0.77 L3MBTL1 (0.44) KDM4EL3MBTL1TDP1ALDH1A1SMN1; SMN2
Alcohol SCHEMBL3011429 0.77 HTT (0.45) KDM4EL3MBTL1TDP1ALDH1A1SMN1; SMN2
SCHEMBL15709637 0.76 SOAT1 (0.49) KDM4EL3MBTL1TDP1ALDH1A1SMN1; SMN2

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