SCHEMBL8409765

SCHEMBL8409765

O=C(O)CS(=O)(=O)OS(=O)(=O)CC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
APEX1 P27695 1/20 0.35
THRB P10828 1/20 0.35
CYP2C19 P33261 1/20 0.33
MMP2 P08253 1/20 0.32
MMP7 P09237 1/20 0.32
MMP14 P50281 1/20 0.32
LDHA P00338 1/20 0.32
SRR Q9GZT4 1/20 0.32
LMNA P02545 1/20 0.32
ALKBH5 Q6P6C2 1/20 0.32
SUCNR1 Q9BXA5 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
TSHR P16473 3/20 0.30
CTH P32929 1/20 0.30
CBS P35520 1/20 0.30
THPO P40225 1/20 0.30
FFAR3 O14843 1/20 0.30
GLRA1 P23415 1/20 0.30
SLC6A9 P48067 1/20 0.30

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
SCHEMBL10306587 0.77
SCHEMBL9133655 0.77
SCHEMBL8859200 0.75 POLB (0.46) POLBAPEX1THRBCYP2C19TSHR
SCHEMBL6473474 0.73 POLB (0.43) POLBLMNAEGLN1FFAR3
Hydrochloric Acid SCHEMBL28243585 0.71
SCHEMBL7095578 0.71 POLB (0.42) POLB
SCHEMBL577101 0.71 APEX1 (0.57) POLBAPEX1LMNAALKBH5SUCNR1
Propionic Acid SCHEMBL21681593 0.71 FFAR3 (0.56) POLBAPEX1FFAR3
SCHEMBL830748 0.69 POLB (1.00) POLBAPEX1CYP2C19MMP2MMP7
SCHEMBL24199591 0.69 POLB (0.40) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106467464-B (E) -2-isopropyl-5-methyl-3, 5-hexadienoic acid ester compound and production method and application thereof 信越化学工业株式会社 2020-12-29 CN disclosed
EP-0718277-B1 Method for producing 5-substituted-2-acylaminophenols, and 5-alkyl-2-acylaminophenol compound and N-acyl-N-(4-alkyl-phenyl)hydroxylamine compound FUJI PHOTO FILM CO LTD (JP) 1999-07-21 EP disclosed
EP-0718277-A1 Method for producing 5-substituted-2-acylaminophenols, and 5-alkyl-2-acylaminophenol compound and N-acyl-N-(4-alkyl-phenyl)hydroxylamine compound FUJI PHOTO FILM CO., LTD. (JP) 1996-06-26 EP disclosed