SCHEMBL28545559

SCHEMBL28545559

CC=CCC(C)C(C)=O.[CaH2]

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.38
GRIK2 Q13002 2/20 0.38
CTSK P43235 2/20 0.33
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
CYP1A2 P05177 1/20 0.30

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
SCHEMBL4243839 0.98
SCHEMBL4243836 0.98
SCHEMBL28560862 0.95 GRIK1 (0.38) GRIK1GRIK2CTSKPPARGPPARD
SCHEMBL28911346 0.95 GRIK1 (0.38) GRIK1GRIK2CTSKPPARGPPARD
SCHEMBL28546943 0.95 GRIK1 (0.38) GRIK1GRIK2CTSKPPARGPPARD
SCHEMBL28549012 0.95 GRIK1 (0.38) GRIK1GRIK2CTSKPPARGPPARD
Methyl Phosphonate SCHEMBL10907544 0.87 GRIK1 (0.34) GRIK1GRIK2CTSK
SCHEMBL27854941 0.85 PPARG (0.39) GRIK1GRIK2PPARGPPARDPPARA
SCHEMBL14879227 0.80 GRIK1 (0.39) GRIK1GRIK2CTSK
SCHEMBL1783016 0.78 ALDH1A1 (0.36) GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112467110-A Organic battery electrode and preparation method thereof 黄涛 2021-03-09 CN claimed
CN-112467110-A Organic battery electrode and preparation method thereof 黄涛 2021-03-09 CN disclosed