SCHEMBL28339376

SCHEMBL28339376

C=CC(=O)OCc1cc(C(C)(C)C)c(O)cc1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
ALOX15 P16050 3/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
ATP2A2 P16615 1/20 0.44
ATP2A3 Q93084 1/20 0.44
GAA P10253 3/20 0.40
TP53 P04637 4/20 0.39
CYP3A4 P08684 3/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.35
NR1I2 O75469 1/20 0.35
CYP2C9 P11712 1/20 0.35
MIF P14174 1/20 0.35
TYR P14679 1/20 0.35
HTT P42858 1/20 0.35
NFE2L2 Q16236 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
SCHEMBL10998109 0.80 ALDH1A1 (0.48) ALDH1A1ALOX15MAPTSMN1; SMN2KDM4E
SCHEMBL30875146 0.79 ALDH1A1 (0.47) ALDH1A1ALOX15MAPTSMN1; SMN2KDM4E
SCHEMBL11583200 0.77 HSPA5 (0.54) ALDH1A1MAPTSMN1; SMN2KDM4ECYP1A2
SCHEMBL9242528 0.77 GAA (0.40) ALDH1A1ALOX15MAPTSMN1; SMN2KDM4E
SCHEMBL2265057 0.76 GAA (0.55) ALDH1A1ALOX15MAPTSMN1; SMN2KDM4E
SCHEMBL1493625 0.76 THRB (0.43) ALDH1A1SMN1; SMN2KDM4EGAATP53
SCHEMBL27463980 0.76 ALDH1A1 (0.60) ALDH1A1ALOX15MAPTSMN1; SMN2KDM4E
SCHEMBL10695185 0.74 ALOX15 (0.58) ALDH1A1ALOX15MAPTSMN1; SMN2KDM4E
SCHEMBL27836608 0.73 ALDH1A1 (0.52) ALDH1A1ALOX15MAPTSMN1; SMN2KDM4E
SCHEMBL10691039 0.72 GAA (0.48) ALDH1A1ALOX15MAPTSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110577640-A 3, 6-di-tert-butyl-4-hydroxybenzyl acrylate and ethylenediamine copolymerized macromolecular antioxidant and application thereof 贵州大学 2019-12-17 CN claimed
CN-110577640-A 3, 6-di-tert-butyl-4-hydroxybenzyl acrylate and ethylenediamine copolymerized macromolecular antioxidant and application thereof 贵州大学 2019-12-17 CN disclosed
CN-110577640-A 3, 6-di-tert-butyl-4-hydroxybenzyl acrylate and ethylenediamine copolymerized macromolecular antioxidant and application thereof 贵州大学 2019-12-17 CN disclosed
CN-110577640-A 3, 6-di-tert-butyl-4-hydroxybenzyl acrylate and ethylenediamine copolymerized macromolecular antioxidant and application thereof 贵州大学 2019-12-17 CN disclosed