SCHEMBL30209495

SCHEMBL30209495

COc1ccc(C(OC[C@@H]2C[C@@H](O)CN2C(=O)CCCCCNC(=O)CCCCCCCCCCCO)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
SLC6A1 P30531 2/20 0.37
SLC6A11 P48066 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
ALDH1A1 P00352 2/20 0.36
NAMPT P43490 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
GBA1 P04062 1/20 0.35

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
SCHEMBL16681996 0.93 HDAC6 (0.40) HDAC6SMN1; SMN2SLC6A1SLC6A11HDAC3
SCHEMBL10177664 0.93 HDAC6 (0.40) HDAC6SMN1; SMN2SLC6A1SLC6A11HDAC3
SCHEMBL10177713 0.92 HDAC6 (0.39) HDAC6SMN1; SMN2SLC6A1SLC6A11HDAC3
SCHEMBL16926631 0.92 HDAC6 (0.39) HDAC6SMN1; SMN2SLC6A1SLC6A11HDAC3
SCHEMBL10177655 0.90 MMP2 (0.40) HDAC6SMN1; SMN2SLC6A1SLC6A11HDAC3
SCHEMBL9908643 0.90 MMP2 (0.40) HDAC6SMN1; SMN2SLC6A1SLC6A11HDAC3
SCHEMBL14978137 0.90 MMP2 (0.40) HDAC6SMN1; SMN2SLC6A1SLC6A11HDAC3
SCHEMBL15102712 0.90 PREP (0.42) HDAC6HDAC3HDAC1
SCHEMBL13658537 0.89 KIF11 (0.41) HDAC6SMN1; SMN2SLC6A1SLC6A11HDAC3
SCHEMBL16393116 0.88 HDAC1 (0.38) HDAC6SMN1; SMN2SLC6A1SLC6A11HDAC1

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
EP-4367125-A1 AMINOOXY CLICK CHEMISTRY (AOCC): A VERSATILE BIOCONJUGATION APPROACH Alnylam Pharmaceuticals, Inc. (US) 2024-05-15 EP disclosed
WO-2023283434-A9 AMINOOXY CLICK CHEMISTRY (AOCC): A VERSATILE BIOCONJUGATION APPROACH ALNYLAM PHARMACEUTICALS, INC. (US) 2024-03-28 WO disclosed
WO-2023283434-A1 AMINOOXY CLICK CHEMISTRY (AOCC): A VERSATILE BIOCONJUGATION APPROACH ALNYLAM PHARMACEUTICALS, INC. (US) 2023-01-12 WO disclosed