SCHEMBL28545966

SCHEMBL28545966

CC(=O)C(=O)OC(=O)CC(C)C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
CA2 P00918 1/20 0.37
TSHR P16473 1/20 0.35
ALOX15 P16050 1/20 0.33
MIF P14174 1/20 0.33
KISS1R Q969F8 2/20 0.32
PRKCA P17252 1/20 0.31

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
SCHEMBL4727009 0.84 ALDH1A1 (0.33) ALDH1A1TDP1TSHR
SCHEMBL9740995 0.82 TSHR (0.52) ALDH1A1TDP1MMP1MMP2MMP3
SCHEMBL248143 0.82 ALDH1A1 (0.50) ALDH1A1TDP1MMP1MMP2MMP3
SCHEMBL21571489 0.81 CA2 (0.42) ALDH1A1TDP1MMP1MMP2MMP3
SCHEMBL8339335 0.80 ALDH1A1 (0.50) ALDH1A1TDP1MMP1MMP2MMP3
SCHEMBL11207226 0.76 TDP1 (0.46) ALDH1A1TDP1MMP1MMP2MMP3
SCHEMBL4734172 0.76
SCHEMBL5404110 0.76 SMN1; SMN2 (0.44) MMP1MMP2MMP3MMP9MMP13
SCHEMBL8366458 0.75 ALDH1A1 (0.48) ALDH1A1TDP1MMP1MMP2MMP3
SCHEMBL181910 0.75 MMP1 (0.45) ALDH1A1TDP1MMP1MMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116987756-A Method for detecting influence of wine body trace components on autophagy flux 中国食品发酵工业研究院有限公司 2023-11-03 CN claimed
CN-116203002-A Method for evaluating influence degree of different trace components in wine body on autophagy level 青海互助天佑德青稞酒股份有限公司 2023-06-02 CN claimed
CN-115109832-A Method for evaluating influence degree of wine body trace component level on alcohol metabolism 中国食品发酵工业研究院有限公司 2022-09-27 CN claimed
CN-112592959-A Method for rapidly evaluating influence degree of organic acid level on alcohol metabolism of Maotai-flavor liquor 贵州国台酒业股份有限公司 2021-04-02 CN claimed
CN-116987756-A Method for detecting influence of wine body trace components on autophagy flux 中国食品发酵工业研究院有限公司 2023-11-03 CN disclosed
CN-116203002-A Method for evaluating influence degree of different trace components in wine body on autophagy level 青海互助天佑德青稞酒股份有限公司 2023-06-02 CN disclosed
CN-112592959-A Method for rapidly evaluating influence degree of organic acid level on alcohol metabolism of Maotai-flavor liquor 贵州国台酒业股份有限公司 2021-04-02 CN disclosed