SCHEMBL28455353

SCHEMBL28455353

O=C(Nc1cc(OCCO)ccc1O)c1ccc(OCCO)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.54
HDAC2 Q92769 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 4/20 0.47
MAPK1 P28482 2/20 0.47
TSHR P16473 1/20 0.47
KCNMA1 Q12791 4/20 0.46
F10 P00742 1/20 0.46
HPSE Q9Y251 1/20 0.45
MDH1 P40925 2/20 0.45
MDH2 P40926 2/20 0.45
PLK1 P53350 1/20 0.44
TP53 P04637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL14601526 0.87 PLK1 (0.47) HDAC1GAAMAPTMAPK1F10
SCHEMBL28460754 0.82 MCHR1 (0.61) MAPTMAPK1F10PLK1TP53
SCHEMBL12431976 0.79 HDAC1 (0.45) HDAC1HDAC2MAPTMAPK1TSHR
SCHEMBL22192224 0.79 MAPT (0.64) GAAMAPTTSHRTP53LMNA
SCHEMBL5180990 0.79 MAPT (0.64) GAAMAPTTSHRTP53LMNA
SCHEMBL26686766 0.78 HDAC1 (0.57) HDAC1MAPTPLK1TP53RXFP1
SCHEMBL7806605 0.76 NPC1 (0.58) GAAMAPTF10PLK1LMNA
SCHEMBL20424310 0.75 GAA (0.59) GAAMAPTPLK1
SCHEMBL8770602 0.75 GAA (0.64) GAAMAPTTSHRTP53LMNA
SCHEMBL12510859 0.75 MEN1 (0.52) HDAC1HDAC2GAAMAPTKCNMA1

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-108359084-B High-temperature self-crosslinking flame-retardant smoke-suppression anti-dripping copolyester based on benzimide structure and preparation method thereof 四川大学 2020-09-18 CN disclosed