SCHEMBL29634849

SCHEMBL29634849

CC(C)(C)c1cc(CCC(=O)OCC(COC(=O)CCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)(COC(=O)CCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)COC(=O)CCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.39
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
XBP1 P17861 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NR5A2 O00482 1/20 0.38
NR5A1 Q13285 1/20 0.38
HSPA5 P11021 2/20 0.37
KMT2A Q03164 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CYP2C19 P33261 3/20 0.36
CYP2C9 P11712 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
VCAM1 P19320 2/20 0.34
PKM P14618 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
SCHEMBL3163194 1.00 GAA (0.39) GAAHTTALDH1A1XBP1MAPK1
SCHEMBL2022442 0.92 GAA (0.39) GAAHTTALDH1A1XBP1MAPK1
Ethane SCHEMBL9248574 0.89 GAA (0.40) GAAHTTALDH1A1XBP1MAPK1
SCHEMBL27450776 0.88 CYP4F2 (0.44) GAAHTTALDH1A1XBP1MAPK1
SCHEMBL10766673 0.87 ALOX5 (0.39) GAAHTTALDH1A1XBP1MAPK1
SCHEMBL11817566 0.86 GAA (0.38) GAAHTTALDH1A1XBP1MAPK1
SCHEMBL10816814 0.86 NR5A2 (0.35) GAAHTTALDH1A1XBP1MAPK1
SCHEMBL2098961 0.85 NR5A2 (0.40) GAAHTTALDH1A1XBP1MAPK1
SCHEMBL7941206 0.85 VCAM1 (0.39) GAAHTTALDH1A1XBP1MAPK1
SCHEMBL8854376 0.85 VCAM1 (0.48) GAAHTTALDH1A1XBP1MAPK1

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-109206769-B Rice hull powder modified regenerated polyvinyl chloride composition and preparation method thereof 合肥杰事杰新材料股份有限公司 2022-06-28 CN claimed
CN-118599240-A PVC composite material for automobile low-voltage line and preparation method thereof 东莞市益恒特新材料科技有限公司 2024-09-06 CN disclosed
CN-109952663-B Composition for sealing organic light-emitting element and organic light-emitting element display device manufactured from the same 三星SDI株式会社 2023-07-21 CN disclosed
CN-109721867-B Regenerated polystyrene modified composite material and preparation method thereof 合肥杰事杰新材料股份有限公司 2022-07-12 CN disclosed