SCHEMBL7339349

SCHEMBL7339349

O=[C]CCC(=O)OCCOc1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
KCNA3 P22001 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTR1B P28222 6/20 0.48
MCL1 Q07820 5/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR1D P28221 3/20 0.45
OGG1 O15527 1/20 0.45
BCL2 P10415 3/20 0.44
BCL2L1 Q07817 2/20 0.44
BAD Q92934 2/20 0.44
ALB P02768 1/20 0.44
SLC6A4 P31645 1/20 0.43
HRH1 P35367 1/20 0.43

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
SCHEMBL10534409 0.89 KDM4E (0.57) KDM4EALDH1A1HPGDKCNA3TDP1
SCHEMBL6445049 0.86 KDM4E (0.55) KDM4EALDH1A1HPGDKCNA3TDP1
SCHEMBL10537972 0.83 KDM4E (0.59) KDM4EALDH1A1HPGDKCNA3TDP1
SCHEMBL7339352 0.81 KDM4E (0.49) KDM4EALDH1A1HPGDKCNA3TDP1
SCHEMBL7352198 0.81 HTR1B (0.61) KDM4EALDH1A1HPGDKCNA3TDP1
SCHEMBL5144042 0.80 KDM4E (0.54) KDM4EALDH1A1HPGDKCNA3TDP1
SCHEMBL28354466 0.80 KDM4E (0.57) KDM4EALDH1A1HPGDKCNA3TDP1
SCHEMBL7162391 0.79 HTR1B (0.62) KDM4EALDH1A1HPGDKCNA3TDP1
SCHEMBL10597687 0.79 KDM4E (0.63) KDM4EALDH1A1HPGDKCNA3TDP1
SCHEMBL7347356 0.78 KCNA3 (0.63) KDM4EALDH1A1HPGDKCNA3TDP1

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
US-6008228-A COMPRISING A MIXTURE OF CARRIER MONOGLYCERIDES OF MEDIUM CHAIN-FATTY ACIDS HOFFMAN-LA ROCHE INC. (US) 1999-12-28 US disclosed
EP-0831826-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PROTEINASE INHIBITOR AND A MONOGLYCERIDE F. HOFFMANN-LA ROCHE AG (CH) 1998-04-01 EP disclosed
WO-1996039142-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PROTEINASE INHIBITOR AND A MONOGLYCERIDE F. HOFFMANN-LA ROCHE AG (CH) 1996-12-12 WO disclosed