SCHEMBL21392856

SCHEMBL21392856

CCCCC(CO)COCCOCCOCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
CYP3A4 P08684 4/20 0.49
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
HSD17B10 Q99714 1/20 0.42
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP14 P50281 1/20 0.41
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 2/20 0.36
ATM Q13315 1/20 0.36
PLA2G2C Q5R387 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL13595807 0.86 HSD17B10 (0.50) ALDH1A1CYP3A4USP2LMNAHSD17B10
SCHEMBL1710091 0.84 CYP3A4 (0.67) ALDH1A1CYP3A4USP2LMNAHSD17B10
SCHEMBL20725831 0.84 CYP3A4 (0.67) ALDH1A1CYP3A4USP2LMNAHSD17B10
SCHEMBL19514984 0.83 CYP3A4 (0.59) ALDH1A1CYP3A4USP2LMNAHSD17B10
SCHEMBL25753062 0.82 TSHR (0.56) ALDH1A1CYP3A4USP2LMNAMMP9
SCHEMBL1839353 0.79 CYP3A4 (0.71) ALDH1A1CYP3A4LMNAHSD17B10MMP9
SCHEMBL3432858 0.79 CYP3A4 (0.71) ALDH1A1CYP3A4USP2LMNAHSD17B10
SCHEMBL3765751 0.79 CYP3A4 (0.71) ALDH1A1CYP3A4LMNAHSD17B10MMP9
SCHEMBL11905467 0.79 CYP3A4 (0.71) ALDH1A1CYP3A4LMNAHSD17B10MMP9
SCHEMBL13007628 0.79 CYP3A4 (0.71) ALDH1A1CYP3A4USP2LMNAHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3770256-A1 ANTISENSE OLIGONUCLEOTIDE HAVING REDUCED TOXICITY Tokyo Institute of Technology (JP) 2021-01-27 EP disclosed
WO-2019182037-A1 ANTISENSE OLIGONUCLEOTIDE HAVING REDUCED TOXICITY 国立大学法人東京工業大学 2019-09-26 WO disclosed