SCHEMBL23560950

SCHEMBL23560950

CC(=O)Nc1cc(C(=O)OC(C)(C)C)cc(C(=O)OC(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
GAA P10253 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 3/20 0.46
LMNA P02545 2/20 0.46
HSD17B10 Q99714 2/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
XBP1 P17861 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTPN11 Q06124 1/20 0.41
STAT3 P40763 2/20 0.40
CDK1 P06493 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL7058435 0.82 CA12 (0.47) ALDH1A1GAATDP1KDM4ELMNA
SCHEMBL16639670 0.82 KMT2A (0.54) ALDH1A1TDP1KDM4ELMNAHSD17B10
SCHEMBL8036267 0.81 KDM4E (0.62) ALDH1A1KDM4ELMNAHSD17B10MAPT
SCHEMBL23560900 0.80 ALDH1A1 (0.43) ALDH1A1KDM4ELMNAHSD17B10MEN1
SCHEMBL17747120 0.79 CA1 (0.54) ALDH1A1GAATDP1KDM4ELMNA
SCHEMBL15858102 0.77 KDM4E (0.61) ALDH1A1KDM4ELMNAHSD17B10MAPT
SCHEMBL11362354 0.77 KDM4E (0.58) ALDH1A1GAATDP1KDM4ELMNA
SCHEMBL18748417 0.76 KDM4E (0.55) ALDH1A1KDM4ELMNAHSD17B10MAPT
SCHEMBL13229315 0.75 KDM4E (0.56) ALDH1A1KDM4ELMNAHSD17B10MAPT
SCHEMBL106447 0.75 CYP2C19 (0.43) MEN1KMT2ASTAT3

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
WO-2021127214-A1 SYNTHETIC PROCESSES AND INTERMEDIATES ARBUTUS BIOPHARMA CORPORATION (CA) 2021-06-24 WO disclosed