SCHEMBL28584902

SCHEMBL28584902

CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1.O=C(O)OC(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.71
ALDH1A1 P00352 4/20 0.54
ALOX15 P16050 1/20 0.54
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.45
KCNN4 O15554 1/20 0.44
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
TDP1 Q9NUW8 2/20 0.41

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
Bicarbonate SCHEMBL28584905 0.89 MAPK1 (0.81) MAPK1ALDH1A1ALOX15KMT2AMAPT
Bicarbonate SCHEMBL28837071 0.89 MAPK1 (0.81) MAPK1ALDH1A1ALOX15KMT2AMAPT
Acetic Acid SCHEMBL28355097 0.87 MAPK1 (0.77) MAPK1ALDH1A1ALOX15KMT2AMAPT
Acetone SCHEMBL27544937 0.87 MAPK1 (0.77) MAPK1ALDH1A1ALOX15KMT2AMAPT
Hydrogen Peroxide SCHEMBL22163808 0.87 MAPK1 (0.94) MAPK1ALDH1A1ALOX15KMT2AMAPT
Methyl Alcohol SCHEMBL28217041 0.84 MAPK1 (0.90) MAPK1ALDH1A1ALOX15KMT2AMAPT
Benzene SCHEMBL25312146 0.84 MAPK1 (1.00) MAPK1ALDH1A1ALOX15KMT2AMAPT
SCHEMBL8939342 0.84 MAPK1 (1.00) MAPK1ALDH1A1ALOX15KMT2AMAPT
SCHEMBL15450 0.84 MAPK1 (1.00) MAPK1ALDH1A1ALOX15KMT2AMAPT
SCHEMBL27506519 0.84 MAPK1 (1.00) MAPK1ALDH1A1ALOX15KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115011021-B Stress-resistant, creep-resistant, high-temperature-resistant and high-insulation sheath material for maglev train cable and manufacturing method and application thereof 安徽建筑大学 2023-04-11 CN claimed
CN-108350197-B Resin film and method for producing same AGC株式会社 2021-07-02 CN disclosed