SCHEMBL3277580

SCHEMBL3277580

CCOC(=O)C(C)(C(C)C)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.48
CYP4F2 P78329 3/20 0.42
CYP4A11 Q02928 3/20 0.42
ALDH1A1 P00352 3/20 0.42
PKM P14618 3/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX15 P16050 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
THRB P10828 1/20 0.38
ABCB11 O95342 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL1785797 0.84 MMP8 (0.41) MMP8CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL17376959 0.82 MMP8 (0.40) MMP8CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL18263960 0.82 MEN1 (0.43) MMP8CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL12552335 0.82 MMP8 (0.46) MMP8CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL5515278 0.81 MMP8 (0.48) MMP8CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL1605028 0.81 MMP8 (0.48) MMP8CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL4414269 0.81 MMP8 (0.48) MMP8CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL235893 0.78 MMP8 (0.46) MMP8CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL15965827 0.77 TSHR (0.35) MMP8CYP4F2CYP4A11ALDH1A1TSHR
SCHEMBL15474405 0.77 MMP8 (0.46) MMP8CYP4F2CYP4A11ALDH1A1PKM

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
EP-3597626-A1 ALPHA,ALPHA-DISUBSTITUTED CARBOXYLIC ACID ESTERS FOR USE AS AROMA CHEMICALS BASF SE (DE) 2020-01-22 EP claimed
US-7691538-B2 Nonaqueous electrolyte secondary battery SANYO ELECTRIC CO., LTD. (JP) 2010-04-06 US claimed
US-20080241702-A1 NONAQUEOUS ELECTROLYTE SECONDARY BATTERY SANYO ELECTRIC CO., LTD. (JP) 2008-10-02 US claimed
EP-3597626-A1 ALPHA,ALPHA-DISUBSTITUTED CARBOXYLIC ACID ESTERS FOR USE AS AROMA CHEMICALS BASF SE (DE) 2020-01-22 EP disclosed
US-7691538-B2 Nonaqueous electrolyte secondary battery SANYO ELECTRIC CO., LTD. (JP) 2010-04-06 US disclosed
US-20080241702-A1 NONAQUEOUS ELECTROLYTE SECONDARY BATTERY SANYO ELECTRIC CO., LTD. (JP) 2008-10-02 US disclosed
CN-101276936-A Non-aqueous electrolyte secondary cell SANYO ELECTRIC CO (JP) 2008-10-01 CN disclosed