SCHEMBL9015635

SCHEMBL9015635

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALDH1A1 P00352 3/20 0.41
TRPA1 O75762 1/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PKM P14618 2/20 0.40
KDM4E B2RXH2 1/20 0.40
THRB P10828 1/20 0.39
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL3724058 0.89 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
Water SCHEMBL8320864 0.87 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9794650 0.83 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9522119 0.80 ALDH1A1 (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11509048 0.80 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1406452 0.80 CYP1A2 (0.42) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1406411 0.80 CYP1A2 (0.42) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11700414 0.78 MMP8 (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL493862 0.78 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL27803622 0.76 CYP1A2 (0.47) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113563146-B Catalytic oxidation device and method 苏州大学 2022-08-30 CN disclosed
CN-113563146-A Catalytic oxidation device and method 苏州大学 2021-10-29 CN disclosed
CN-213169477-U 2, 5-hexanedione odor-proof diffusion sealing device 枣庄九星生物科技有限公司 2021-05-11 CN disclosed
CN-110845333-A Synthetic method of 2, 5-hexanedione 怀化金鑫新材料有限公司 2020-02-28 CN disclosed
CN-107973784-A Synthesis method of fimasartan 珠海市海瑞德生物科技有限公司 2018-05-01 CN disclosed
CN-1115337-C Pyrimidinone derivs. BORYUNG PHARM (KR) 2003-07-23 CN disclosed
CN-1160395-A Pyrimidone derivatives BORYUNG PHARM (KR) 1997-09-24 CN disclosed
US-5486451-A FORMING A DISPERSION OF SILVER HALIDE GRAINS IN THE PRESENCE OF A HYDROPHILIC COLLOID AND REMOVING BY-PRODUCTS BY LOWERING THE PH TO BRING ABOUT COAGULATION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-01-23 US disclosed
EP-0645672-A1 Method for preparing silver halide photographic emulsions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-03-29 EP disclosed
US-4382972-A Flavoring compositions and flavored comestibles containing alkyl 2,3-dihydro-3(1'-hydroxyalkylidene)-2-oxo-5-alkylfuran-4-carboxylates FRITZSCHE DODGE & OLCOTT INC. (US) 1983-05-10 US disclosed