SCHEMBL28082064

SCHEMBL28082064

O=C(OCCO)c1ccccc1OCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.68
▸ MEN1 O00255 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ NPSR1 Q6W5P4 1/20 0.62
▸ SGMS2 Q8NHU3 3/20 0.55
▸ LMNA P02545 2/20 0.54
▸ NPC1 O15118 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ PTGER1 P34995 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ PPIA P62937 1/20 0.50
▸ MAPT P10636 1/20 0.49

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
SCHEMBL6285513 0.88 ALDH1A1 (0.59) HTTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL4415350 0.87 HTT (0.75) HTTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL9574717 0.86 HTT (0.73) HTTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL8608219 0.85 ALDH1A1 (0.50) HTTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL1926799 0.84 HTT (0.63) HTTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL29162756 0.84 HTT (0.63) HTTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL11543266 0.84 ALDH1A1 (0.72) KMT2ASMN1; SMN2NPSR1LMNANPC1
SCHEMBL340937 0.83 HTT (0.69) HTTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL25119642 0.83 ALDH1A1 (0.57) HTTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL29687865 0.83 ALDH1A1 (0.65) HTTMEN1KMT2ASMN1; SMN2NPSR1

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-105821005-A Cationic polyamines for treatment of viruses 新加坡科技研究局 2016-08-03 — — CN disclosed
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