SCHEMBL29276396

SCHEMBL29276396

CC(C)COC(=O)CC(O)CO

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 4/20 0.44
KDM4E B2RXH2 1/20 0.44
DUSP3 P51452 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.44
DGKA P23743 1/20 0.41
TSHR P16473 4/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FAAH O00519 2/20 0.40
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL10415158 0.85 LMNA (0.53) PRKCAKDM4EDUSP3MEN1KMT2A
SCHEMBL9742565 0.83 TSHR (0.41) PRKCAKDM4EDUSP3MEN1KMT2A
SCHEMBL4805747 0.83 KDM4E (0.53) PRKCAKDM4EDUSP3MEN1KMT2A
SCHEMBL6240956 0.82 TSHR (0.39) PRKCAKDM4EDUSP3MEN1KMT2A
SCHEMBL6236598 0.82 TSHR (0.39) PRKCAKDM4EDUSP3MEN1KMT2A
SCHEMBL6233376 0.82 TSHR (0.39) PRKCAKDM4EDUSP3MEN1KMT2A
SCHEMBL18087555 0.80 TSHR (0.45) PRKCATSHRTDP1L3MBTL1ALDH1A1
SCHEMBL1456508 0.80 TSHR (0.45) PRKCATSHRTDP1L3MBTL1ALDH1A1
SCHEMBL7412928 0.80 MAPT (0.41) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL128660 0.80 TSHR (0.48) PRKCATSHRTDP1L3MBTL1ALDH1A1

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-117142955-A Method for catalyzing carbonylation esterification reaction by cobalt promoted by molybdenum disulfide 中国科学院兰州化学物理研究所 2023-12-01 CN claimed
CN-116730836-A Method for catalyzing carbonylation esterification reaction by cobalt salt activated by synthesis gas 中国科学院兰州化学物理研究所 2023-09-12 CN claimed
CN-117142955-A Method for catalyzing carbonylation esterification reaction by cobalt promoted by molybdenum disulfide 中国科学院兰州化学物理研究所 2023-12-01 CN disclosed
CN-116730836-A Method for catalyzing carbonylation esterification reaction by cobalt salt activated by synthesis gas 中国科学院兰州化学物理研究所 2023-09-12 CN disclosed