SCHEMBL28731535

SCHEMBL28731535

CC(CO)(CO)C(=O)OCCO

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
PRKCA P17252 1/20 0.35
ACHE P22303 1/20 0.35
CYP4F2 P78329 3/20 0.34
CYP4A11 Q02928 3/20 0.34
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL16348119 0.92 TSHR (0.33) TSHRPRKCAACHECYP4F2CYP4A11
SCHEMBL13785293 0.90 PRKCA (0.38) TSHRPRKCACYP4F2CYP4A11KDM4E
SCHEMBL2754865 0.89 PRKCA (0.36) TSHRPRKCAACHECYP4F2CYP4A11
SCHEMBL12834794 0.86 PRKCA (0.35) TSHRPRKCACYP4F2CYP4A11KDM4E
SCHEMBL9870240 0.84 HCAR2 (0.38) TSHRPRKCACYP4F2CYP4A11KDM4E
SCHEMBL2615569 0.84 CYP4F2 (0.37) TSHRPRKCACYP4F2CYP4A11KDM4E
SCHEMBL2444342 0.84 ACHE (0.38) TSHRPRKCAACHECYP4F2CYP4A11
SCHEMBL16174088 0.82 PRKCA (0.33) PRKCAALDH1A1
SCHEMBL15256715 0.82 TSHR (0.38) TSHRPRKCAALDH1A1
SCHEMBL16174555 0.82 PRKCA (0.33) PRKCA

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-114316679-A Ink jet ink set and recording method 精工爱普生株式会社 2022-04-12 CN disclosed