SCHEMBL28014607

SCHEMBL28014607

O=C(OC(=O)c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 10/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
HTT P42858 2/20 0.50
KMT2A Q03164 2/20 0.50
HPGD P15428 2/20 0.50
CYP2C19 P33261 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
SMAD3 P84022 1/20 0.50
PRMT1 Q99873 1/20 0.50
ACE2 Q9BYF1 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
USP2 O75604 1/20 0.38
ALOX12 P18054 2/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
BRCA1 P38398 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
SCHEMBL29383733 0.91 FTO (0.55) FTOMAPTMEN1HTTKMT2A
SCHEMBL31580193 0.91 FTO (0.55) FTOMAPTMEN1HTTKMT2A
SCHEMBL334086 0.91 FTO (0.55) FTOMAPTMEN1HTTKMT2A
SCHEMBL28222145 0.89 FTO (0.62) FTOMAPTMEN1HTTKMT2A
SCHEMBL29579867 0.89 FTO (0.55) FTOMAPTMEN1HTTKMT2A
SCHEMBL29501272 0.84 FTO (0.56) FTOMAPTMEN1HTTKMT2A
SCHEMBL29995636 0.84 FTO (0.56) FTOMAPTMEN1HTTKMT2A
SCHEMBL164316 0.84 FTO (0.56) FTOMAPTMEN1HTTKMT2A
SCHEMBL30064563 0.84 FTO (0.56) FTOMAPTMEN1HTTKMT2A
SCHEMBL27645069 0.81 FTO (0.52) FTOMAPTMEN1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102917690-B Lipid vesicle composition and using method 麻省理工学院 2016-08-24 CN disclosed
CN-104769431-A Cancer diagnostic and therapeutic method targeting molecules expressed in cancer stem cells UNIV NIIGATA 2015-07-08 CN disclosed