SCHEMBL28200543

SCHEMBL28200543

[O]OCC(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
TDP1 Q9NUW8 3/20 0.58
HPGD P15428 3/20 0.58
KMT2A Q03164 3/20 0.58
MAPK1 P28482 2/20 0.58
MEN1 O00255 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
KDM4E B2RXH2 1/20 0.58
CYP3A4 P08684 1/20 0.58
ALOX15 P16050 1/20 0.58
CES1 P23141 1/20 0.58
GSK3B P49841 2/20 0.54
ALDH1A1 P00352 2/20 0.54
PTPN1 P18031 2/20 0.54
TRPA1 O75762 1/20 0.54
HIF1A Q16665 1/20 0.54
L3MBTL1 Q9Y468 5/20 0.52
LMNA P02545 2/20 0.52
NR4A2 P43354 1/20 0.52
NPC1 O15118 5/20 0.52

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
SCHEMBL843972 0.84 TDP1 (0.56) MAPTTDP1HPGDKMT2AMAPK1
SCHEMBL864716 0.83 MAPT (0.61) MAPTTDP1HPGDKMT2AMAPK1
SCHEMBL10809629 0.79 L3MBTL1 (0.59) MAPTTDP1HPGDKMT2AMAPK1
SCHEMBL291698 0.79 L3MBTL1 (0.59) MAPTTDP1HPGDKMT2AMAPK1
SCHEMBL291697 0.79 L3MBTL1 (0.59) MAPTTDP1HPGDKMT2AMAPK1
SCHEMBL28612997 0.79 MAPT (0.56) MAPTTDP1HPGDKMT2AMAPK1
SCHEMBL9305304 0.79 HPGD (0.62) MAPTTDP1HPGDKMT2AMAPK1
SCHEMBL8158863 0.79 GSK3B (0.58) MAPTTDP1HPGDKMT2AMAPK1
SCHEMBL2388014 0.79 TDP1 (0.56) MAPTTDP1HPGDKMT2AMAPK1
SCHEMBL5852707 0.79 MAPT (0.56) MAPTTDP1HPGDKMT2AMAPK1

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-107573277-A The manufacture method of the formic acid of 5 hydroxy piperidine 2 株式会社API 2018-01-12 CN disclosed