SCHEMBL19463263

SCHEMBL19463263

COC(=O)CCCCCCCCCCC(=O)N[C@@H](C)[C@@H](O)C(=O)NCCOC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.42
▸ HDAC6 Q9UBN7 3/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ASAH1 Q13510 1/20 0.38
▸ ACER2 Q5QJU3 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SLC6A1 P30531 2/20 0.37
▸ SLC6A11 P48066 1/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36

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
SCHEMBL20996163 0.89 GAA (0.42) GAAHDAC6ALDH1A1KMT2ANPSR1
SCHEMBL20996162 0.89 GAA (0.42) GAAHDAC6ALDH1A1KMT2ANPSR1
SCHEMBL28349292 0.83 GAA (0.43) GAAHDAC6ALDH1A1KMT2ANPSR1
SCHEMBL19463709 0.80 HDAC6 (0.43) HDAC6ALDH1A1SMN1; SMN2HDAC3HDAC1
SCHEMBL19463708 0.80 HDAC6 (0.43) HDAC6ALDH1A1SMN1; SMN2HDAC3HDAC1
SCHEMBL24383374 0.76 KMT2A (0.43) HDAC6ALDH1A1KMT2AASAH1SMN1; SMN2
SCHEMBL31606446 0.76 GAA (0.45) GAAHDAC6ALDH1A1KMT2AASAH1
SCHEMBL20799447 0.76 ALDH1A1 (0.50) ALDH1A1NPSR1SMN1; SMN2SLC6A1SLC6A11
SCHEMBL20371134 0.74 GAA (0.45) GAAHDAC6ALDH1A1KMT2AL3MBTL1
SCHEMBL716445 0.74 SLC6A11 (0.43) HDAC6ALDH1A1KMT2ASMN1; SMN2SLC6A1

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
WO-2019051257-A2 METHODS FOR TREATING HEPATITIS B INFECTIONS ARBUTUS BIOPHARMA CORPORATION (CA) 2019-03-14 — — WO disclosed
EP-3443092-A1 TARGETED NUCLEIC ACID CONJUGATE COMPOSITIONS Arbutus Biopharma Corporation (CA) 2019-02-20 — — EP disclosed
WO-2017177326-A1 TARGETED NUCLEIC ACID CONJUGATE COMPOSITIONS PROTIVA BIOTHERAPEUTICS, INC. (CA) 2017-10-19 — — WO disclosed
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