2-Oxoisohexanoate

2-Oxoisohexanoate

SCHEMBL2224962

CC(C)CC(=O)C(=O)O.[NaH]

nearest known ligand 0.94

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.50
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
OR51E2 Q9H255 2/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
CA1 P00915 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.35
SLC13A3 Q8WWT9 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
RNPEP Q9H4A4 1/20 0.35
SLC7A5 Q01650 1/20 0.35
CACNB3 P54284 1/20 0.34
CACNA2D1 P54289 1/20 0.34
CACNA1C Q13936 1/20 0.34

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
2-Oxoisohexanoate SCHEMBL43491 0.97
2-Oxoisohexanoate SCHEMBL18302256 0.97 CA2 (0.52) CA2ALDH1A1TDP1OR51E2MMP1
2-Oxoisohexanoate SCHEMBL6845538 0.94 CA2 (0.50) CA2ALDH1A1TDP1OR51E2MMP1
2-Oxoisohexanoate SCHEMBL4364799 0.94 CA2 (0.50) CA2ALDH1A1TDP1OR51E2MMP1
2-Oxoisohexanoate SCHEMBL7278860 0.94 CA2 (0.50) CA2ALDH1A1TDP1OR51E2MMP1
2-Oxoisohexanoate SCHEMBL5160502 0.92 CA2 (0.48) CA2ALDH1A1TDP1OR51E2MMP1
2-Oxoisohexanoate SCHEMBL28052970 0.89 ALDH1A1 (0.50) CA2ALDH1A1TDP1OR51E2MMP1
2-Oxoisohexanoate SCHEMBL31717986 0.87 CA2 (0.44) CA2ALDH1A1TDP1OR51E2MMP1
2-Oxoisohexanoate SCHEMBL5606890 0.85 SLC7A5 (0.44) CA2ALDH1A1TDP1MMP1MMP2
2-Oxoisohexanoate SCHEMBL5606991 0.85 OR51E2 (0.48) CA2ALDH1A1TDP1OR51E2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108203836-A A kind of method for improving electro-coppering covering power 艾威尔电路(深圳)有限公司 2018-06-26 CN claimed
CN-107058862-A A kind of storage rack 孙英 2017-08-18 CN claimed
CN-105925240-A Novel halogen-free flame-retardant silicone sealant 滁州斯迈特复合材料有限公司 2016-09-07 CN claimed
CN-105713553-A Silicone sealant for aluminum alloy doors/windows 烟台图文马克化工科技有限公司 2016-06-29 CN claimed
CN-104824786-A Preservative for steamed twisted roll food YANTAI SHUNLONG CHEMICAL ENGINEERING TECHNOLOGY CO LTD 2015-08-12 CN claimed
CN-104263550-A Makeup solution glass bottle detergent CHUZHOU SI MAITE COMPOSITE MATERIALS CO LTD 2015-01-07 CN claimed
US-5500668-A INK JET PRINTING XEROX CORPORATION (US) 1996-03-19 US claimed
US-20220204918-A1 CELL CULTURE MEDIA COMPRISING KETO ACIDS MERCK PATENT GMBH (DE) 2022-06-30 US disclosed
CN-108203836-B Method for improving deep plating capacity of electroplated copper 艾威尔电路(深圳)有限公司 2021-12-17 CN disclosed
CN-108203836-B Method for improving deep plating capacity of electroplated copper 艾威尔电路(深圳)有限公司 2021-12-17 CN disclosed
CN-108203836-A A kind of method for improving electro-coppering covering power 艾威尔电路(深圳)有限公司 2018-06-26 CN disclosed
CN-107058862-A A kind of storage rack 孙英 2017-08-18 CN disclosed
CN-105925240-A Novel halogen-free flame-retardant silicone sealant 滁州斯迈特复合材料有限公司 2016-09-07 CN disclosed
EP-0364804-A1 Non-peptide renin inhibitors ABBOTT LABORATORIES (US) 1990-04-25 EP disclosed
WO-1990003971-A1 NON-PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-04-19 WO disclosed
EP-0320118-A2 Peptides with collagenase inhibiting activity BEECHAM GROUP PLC (GB) 1989-06-14 EP disclosed
CN-1030761-A Phosphorated 3-hydroxyl-3-first glutaryl CoA-reductase inhibitors, new intermediate and method SQUIBB & SONS INC (US) 1989-02-01 CN disclosed
US-4472380-A CARBOXYALKYL DIPEPTIDE DERIVATIVES MERCK & CO., INC. (US) 1984-09-18 US disclosed
US-4374829-A Aminoacid derivatives as antihypertensives MERCK & CO., INC. (US) 1983-02-22 US disclosed
EP-0012401-A1 Carboxyalkyl dipeptide derivatives, process for preparing them and pharmaceutical composition containing them MERCK & CO. INC. (US) 1980-06-25 EP disclosed