SCHEMBL29617026

SCHEMBL29617026

CCOC(=O)c1ccc(-c2ccc(C(=O)OCC)o2)o1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
ALDH1A1 P00352 7/20 0.53
MAPT P10636 7/20 0.53
KDM4E B2RXH2 6/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
POLB P06746 2/20 0.53
TLR2 O60603 1/20 0.53
NSD2 O96028 1/20 0.53
PKM P14618 1/20 0.53
MPI P34949 1/20 0.53
GRK6 P43250 1/20 0.53
RECQL P46063 1/20 0.53
TLR1 Q15399 1/20 0.53
TLR6 Q9Y2C9 1/20 0.53
ERN1 O75460 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NPSR1 Q6W5P4 3/20 0.51

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
SCHEMBL449698 0.91 HDAC4 (0.73) HDAC4HDAC6ALDH1A1MAPTKDM4E
SCHEMBL28427399 0.88 HDAC4 (0.65) HDAC4HDAC6ALDH1A1MAPTKDM4E
SCHEMBL14379380 0.88 MAPT (0.55) HDAC4HDAC6ALDH1A1MAPTKDM4E
SCHEMBL23091222 0.87 SLC9A1 (0.55) HDAC4HDAC6ALDH1A1MAPTKDM4E
SCHEMBL669793 0.86 HDAC4 (0.62) HDAC4HDAC6ALDH1A1MAPTKDM4E
SCHEMBL14150450 0.85 ALDH1A1 (0.56) HDAC4HDAC6ALDH1A1MAPTKDM4E
SCHEMBL28817917 0.85 HDAC4 (0.57) HDAC4HDAC6ALDH1A1MAPTKDM4E
SCHEMBL1828976 0.84 HDAC4 (0.65) HDAC4HDAC6ALDH1A1MAPTKDM4E
SCHEMBL2632284 0.84 HDAC4 (0.60) HDAC4HDAC6ALDH1A1MAPTKDM4E
SCHEMBL14052281 0.84 HDAC4 (0.70) HDAC4HDAC6ALDH1A1MAPTKDM4E

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-114478563-A Method for quickly crystallizing isosorbide 国科温州研究院(温州生物材料与工程研究所) 2022-05-13 CN claimed