SCHEMBL28779286

SCHEMBL28779286

O=C(OCc1ccc(OCCOc2ccc(COC(=O)c3ccccc3)cc2)cc1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.71
TDP1 Q9NUW8 3/20 0.71
SLC6A2 P23975 1/20 0.71
SLC6A3 Q01959 1/20 0.71
LMNA P02545 3/20 0.60
MAPT P10636 5/20 0.57
RAB9A P51151 3/20 0.57
MEN1 O00255 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
PKM P14618 1/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 3/20 0.53
HPGD P15428 1/20 0.53
NR4A1 P22736 1/20 0.51
NR4A2 P43354 1/20 0.51
NR4A3 Q92570 1/20 0.51
PARP10 Q53GL7 1/20 0.51
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
GAA P10253 2/20 0.50

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
SCHEMBL51012 0.93 KMT2A (0.71) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL1944115 0.90 KMT2A (0.77) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL8673498 0.89 KMT2A (0.65) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL5085718 0.88 KMT2A (0.92) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL28673435 0.87 TSHR (0.58) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL9574756 0.87 KMT2A (0.71) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL20830913 0.86 MAPT (0.61) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL22146533 0.86 TDP1 (0.66) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL6286657 0.86 KMT2A (0.65) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL50807 0.85 KMT2A (0.73) KMT2ATDP1SLC6A2SLC6A3LMNA

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-114761379-A Color-developing agent and heat-sensitive recording material 三菱化学株式会社 2022-07-15 CN disclosed