SCHEMBL28848779

SCHEMBL28848779

CCOP(=O)(OC)OC(C)C

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
CTSA P10619 1/20 0.37
ACHE P22303 1/20 0.37
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PPARD Q03181 2/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 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
SCHEMBL3819715 0.88 TSHR (0.60) TSHRCTSAACHETP53TDP1
SCHEMBL86164 0.88 TSHR (0.60) TSHRCTSAACHETP53TDP1
SCHEMBL25814481 0.86 TSHR (0.43) TSHRCTSAACHETP53TDP1
SCHEMBL28848586 0.83 CYP3A4 (0.41) TSHRCTSAACHEPOLBKDM4E
SCHEMBL388425 0.80
SCHEMBL575185 0.80 TSHR (0.71) TSHRACHETP53TDP1POLB
SCHEMBL3820524 0.80 ACHE (0.48) TSHRCTSAACHEPOLBKDM4E
SCHEMBL1908562 0.80 ACHE (0.48) TSHRCTSAACHEPOLBKDM4E
SCHEMBL28802160 0.79 TSHR (0.40) TSHRALDH1A1MEN1KMT2A
SCHEMBL27337812 0.78 TSHR (0.43) TSHRACHETP53TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108701812-B Negative electrode for lithium secondary battery and lithium secondary battery 日本电气株式会社 2022-09-23 CN disclosed