SCHEMBL5028593

SCHEMBL5028593

Cc1cc(CCC(=O)O)cc(C(C)(C)C)c1O.Cc1cc(CCC(=O)O)cc(C(C)(C)C)c1O.OCO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.52
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
AGTR1 P30556 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GMNN O75496 1/20 0.41
GABBR2 O75899 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 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
Hydrogen Peroxide SCHEMBL28104512 0.97 GAA (0.55) GAAKMT2AMEN1CYP1A2CYP2C9
SCHEMBL39866 0.97 GAA (0.55) GAAKMT2AMEN1CYP1A2CYP2C9
SCHEMBL29387462 0.97 GAA (0.55) GAAKMT2AMEN1CYP1A2CYP2C9
Ethylene Glycol SCHEMBL551090 0.95 GAA (0.51) GAAKMT2AMEN1CYP1A2CYP2C9
Ethylene Glycol SCHEMBL8407093 0.95 GAA (0.51) GAAKMT2AMEN1CYP1A2CYP2C9
Alcohol SCHEMBL28097895 0.95 GAA (0.51) GAAKMT2AMEN1CYP1A2CYP2C9
Ammonia Solution, Strong SCHEMBL5491694 0.95 GAA (0.54) GAAKMT2AMEN1CYP1A2CYP2C9
SCHEMBL28324794 0.95 GAA (0.57) GAAKMT2AMEN1CYP1A2CYP2C9
Methane SCHEMBL28345434 0.95 GAA (0.54) GAAKMT2AMEN1CYP1A2CYP2C9
Ethylene SCHEMBL4043660 0.94 GAA (0.52) GAAKMT2AMEN1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951501-A1 THERMOPLASTIC RESIN FILM AND METHOD FOR PRODUCING THEREOF FUJIFILM Corporation (JP) 2008-08-06 EP disclosed
WO-2007060964-A1 THERMOPLASTIC RESIN FILM AND METHOD FOR PRODUCING THEREOF FUJIFILM CORPORATION (JP) 2007-05-31 WO disclosed
WO-2007060962-A1 THERMOPLASTIC FILM AND METHOD FOR PRODUCING THEREOF FUJIFILM CORPORATION (JP) 2007-05-31 WO disclosed
WO-2007037517-A9 CYCLIC OLEFIN RESIN FILM, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY FUJIFILM CORP (JP) 2007-05-31 WO disclosed