SCHEMBL3426953

SCHEMBL3426953

CCOC(=O)CC(CC(C)=O)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALDH1A1 P00352 7/20 0.42
ALOX15 P16050 3/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
TRPA1 O75762 1/20 0.41
HSD17B10 Q99714 2/20 0.41
CHRM1 P11229 1/20 0.41
ADORA1 P30542 1/20 0.41
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.36

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
Succinic Acid Diethyl Ester SCHEMBL27962258 0.94 CYP1A2 (0.41) KMT2AMEN1NPC1MGAMGAA
SCHEMBL5936778 0.91 MEN1 (0.50) KMT2AMEN1NPC1MGAMGAA
SCHEMBL8719366 0.91 MGAM (0.52) KMT2AMEN1NPC1MGAMGAA
SCHEMBL27539379 0.88 MGAM (0.44) KMT2AMEN1NPC1MGAMGAA
Acetic Acid SCHEMBL4559166 0.87 MEN1 (0.52) KMT2AMEN1NPC1MGAMGAA
SCHEMBL9752041 0.86 MGAM (0.43) KMT2AMEN1NPC1MGAMGAA
SCHEMBL28071880 0.83 KMT2A (0.49) KMT2AMEN1NPC1MGAMGAA
SCHEMBL2826140 0.83 MEN1 (0.49) KMT2AMEN1NPC1MGAMGAA
SCHEMBL9835426 0.83 ALDH1A1 (0.44) KMT2AMEN1NPC1MGAMGAA
SCHEMBL6868422 0.83 MGAM (0.48) KMT2AMEN1NPC1MGAMGAA

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115073291-B Production process of intermediate diethyl acetonylsuccinate for producing prohexadione calcium 鹤壁全丰生物科技有限公司 2024-07-05 CN claimed
CN-115073291-A Production process for producing intermediate acetonyl diethyl succinate from prohexadione calcium 鹤壁全丰生物科技有限公司 2022-09-20 CN claimed
CN-104140368-B A kind of preparation method of 3,5-dioxo-4-propiono cyclohexane-carboxylic acid calcium Jiangxi Agriculture University (CN) 2016-05-25 CN claimed
CN-104140368-A Method for preparing calcium3-oxido-5-oxo-4-propionyl cyclohex-3-enecarboxylate UNIV JIANGXI AGRICULTURAL 2014-11-12 CN claimed
CN-118388337-A Method for purifying prohexadione disodium and method for improving prohexadione calcium purity 河南郑氏化工产品有限公司 2024-07-26 CN disclosed
CN-115073291-B Production process of intermediate diethyl acetonylsuccinate for producing prohexadione calcium 鹤壁全丰生物科技有限公司 2024-07-05 CN disclosed
CN-115073291-B Production process of intermediate diethyl acetonylsuccinate for producing prohexadione calcium 鹤壁全丰生物科技有限公司 2024-07-05 CN disclosed
CN-114805067-B Preparation method of prohexadione calcium intermediate 浙江科技学院 2024-07-05 CN disclosed
CN-115073291-B Production process of intermediate diethyl acetonylsuccinate for producing prohexadione calcium 鹤壁全丰生物科技有限公司 2024-07-05 CN disclosed
CN-118206514-A Reaction method for preparing olefin by deacylation of visible light induced ketone 国科大杭州高等研究院 2024-06-18 CN disclosed
CN-115073291-A Production process for producing intermediate acetonyl diethyl succinate from prohexadione calcium 鹤壁全丰生物科技有限公司 2022-09-20 CN disclosed
CN-115073291-A Production process for producing intermediate acetonyl diethyl succinate from prohexadione calcium 鹤壁全丰生物科技有限公司 2022-09-20 CN disclosed
WO-2006134111-A1 SPIRO-BENZIMIDAZOLES AS INHIBITORS OF GASTRIC ACID SECRETION NYCOMED GMBH (DE) 2006-12-21 WO disclosed
EP-0306996-B1 PROCESS FOR THE PREPARATION OF 3,5-DIOXO CYCLOHEXANE CARBOXYLIC ACID DERIVATIVES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1992-11-11 EP disclosed
EP-0123001-B1 NEW CYCLOHEXANE DERIVATIVES HAVING PLANT-GROWTH REGULATING ACTIVITIES, AND USES OF THESE DERIVATIVES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1990-04-25 EP disclosed
US-4866201-A CYCLIZATION ACETONYLSUCCINIC ACID ESTER; REACTING WITH ORGANIC ACID CHLORIDE; THEN REARRANGEMENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1989-09-12 US disclosed
EP-0306996-A2 Process for the preparation of 3,5-dioxo cyclohexane carboxylic acid derivatives KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1989-03-15 EP disclosed
US-4678496-A CROPS AND LAWNS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1987-07-07 US disclosed
US-4560403-A Cyclohexane derivatives having plant-growth regulating activities, and uses of these derivatives KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1985-12-24 US disclosed
EP-0123001-A1 New cyclohexane derivatives having plant-growth regulating activities, and uses of these derivatives KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1984-10-31 EP disclosed