SCHEMBL29664616

SCHEMBL29664616

CC(=O)CC(=O)c1ccncc1.[Na]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 4/20 0.62
PLOD3 O60568 3/20 0.62
PLOD1 Q02809 3/20 0.62
CYP2C19 P33261 3/20 0.62
ALDH1A1 P00352 3/20 0.62
CYP1A2 P05177 2/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2D6 P10635 2/20 0.62
CYP2C9 P11712 2/20 0.62
HPGD P15428 1/20 0.62
HIF1A Q16665 1/20 0.62
KDM4E B2RXH2 1/20 0.50
MPO P05164 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CYP2A6 P11509 1/20 0.50
TP53 P04637 1/20 0.50
NAPRT Q6XQN6 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL3108729 0.98 PLOD2 (0.64) PLOD2PLOD3PLOD1CYP2C19ALDH1A1
SCHEMBL28972977 0.96 PLOD2 (0.62) PLOD2PLOD3PLOD1CYP2C19ALDH1A1
SCHEMBL10948430 0.84 PLOD2 (0.83) PLOD2PLOD3PLOD1CYP2C19ALDH1A1
SCHEMBL2003577 0.82 KMT2A (0.52) PLOD2PLOD3PLOD1CYP2C19ALDH1A1
SCHEMBL30398821 0.78 KMT2A (0.70) PLOD2PLOD3PLOD1CYP2C19ALDH1A1
SCHEMBL200805 0.78 PLOD2 (0.73) PLOD2PLOD3PLOD1CYP2C19ALDH1A1
SCHEMBL1919299 0.78 PLOD2 (0.60) PLOD2PLOD3PLOD1CYP2C19ALDH1A1
SCHEMBL5160670 0.78 PLOD2 (0.60) PLOD2PLOD3PLOD1CYP2C19ALDH1A1
SCHEMBL21276047 0.77 PLOD2 (0.43) PLOD2PLOD3PLOD1CYP2C19ALDH1A1
SCHEMBL8053052 0.77 PLOD2 (1.00) PLOD2PLOD3PLOD1CYP2C19ALDH1A1

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-114561025-B Pyridinium-modified UiO-66 compound, preparation method and application 辽宁师范大学 2023-02-03 CN claimed
CN-114561025-A Pyridinium-modified UiO-66 compound, preparation method and application 辽宁师范大学 2022-05-31 CN claimed
CN-114561025-B Pyridinium-modified UiO-66 compound, preparation method and application 辽宁师范大学 2023-02-03 CN disclosed
CN-114561025-A Pyridinium-modified UiO-66 compound, preparation method and application 辽宁师范大学 2022-05-31 CN disclosed