SCHEMBL29419953

SCHEMBL29419953

O=C(O)c1cc(O)cc(O)c1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.59
ACHE P22303 1/20 0.59
CA12 O43570 4/20 0.52
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
CA7 P43166 4/20 0.52
CA9 Q16790 4/20 0.52
CA14 Q9ULX7 4/20 0.52
ALDH1A1 P00352 2/20 0.52
ALOX5 P09917 1/20 0.52
PTGS2 P35354 1/20 0.52
TSHR P16473 1/20 0.52
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
HPGD P15428 2/20 0.50
PTPN1 P18031 2/20 0.50
PTPN11 Q06124 2/20 0.50
FASN P49327 1/20 0.48
APP P05067 1/20 0.45
PTGS1 P23219 1/20 0.45

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
SCHEMBL2127547 1.00 CYP3A4 (0.59) CYP3A4ACHECA12CA1CA2
SCHEMBL1314562 0.87 CA12 (0.52) CYP3A4ACHECA12CA1CA2
SCHEMBL27968250 0.85 CA12 (0.50) CYP3A4ACHECA12CA1CA2
SCHEMBL27968299 0.85 CA12 (0.50) CYP3A4ACHECA12CA1CA2
SCHEMBL28120779 0.85 CA12 (0.50) CYP3A4ACHECA12CA1CA2
SCHEMBL27968190 0.85 CA12 (0.50) CYP3A4ACHECA12CA1CA2
SCHEMBL5603948 0.85 CYP3A4 (0.70) CYP3A4ACHECA12CA1CA2
SCHEMBL180437 0.85 CYP3A4 (0.70) CYP3A4ACHECA12CA1CA2
Ethane SCHEMBL28122054 0.83 CYP3A4 (0.50) CYP3A4ACHECA12CA1CA2
SCHEMBL22939096 0.82 CDC25B (0.57) CYP3A4ACHECA12CA1CA2

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-119173600-A Insulating adhesive tape 爱天思株式会社 2024-12-20 CN disclosed
CN-115485236-B Boron-doped carbon material, conductive composition, conductive film, and power storage element 爱天思株式会社 2024-09-27 CN disclosed
CN-115485236-A Boron-doped carbon material, conductive composition, conductive film, and electricity storage element 东洋油墨SC控股株式会社 2022-12-16 CN disclosed
CN-114249963-A Solvent-free curable composition, cured product, and method for producing same 东洋油墨SC控股株式会社 2022-03-29 CN disclosed