SCHEMBL28361908

SCHEMBL28361908

CC(=O)COP(=O)(O)OCC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MVD P53602 1/20 0.37
TPI1 P60174 2/20 0.36
BTN3A1 O00481 3/20 0.35
ALDH1A1 P00352 2/20 0.33
CES2 O00748 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
TRPA1 O75762 1/20 0.32

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
SCHEMBL17482402 0.87 PLA2G2A (0.39) MVDTPI1BTN3A1CES2MGAM
SCHEMBL7261083 0.85 BTN3A1 (0.53) MVDBTN3A1TDP1
SCHEMBL12374604 0.85 PLA2G2C (0.40) MVDTPI1BTN3A1ALDH1A1CES2
SCHEMBL11966759 0.85 TSHR (0.31) MVDTSHR
SCHEMBL160921 0.83
SCHEMBL14272404 0.82 CHRM5 (0.44) TSHRGAA
SCHEMBL23249660 0.81 TPI1 (0.50) TPI1BTN3A1
SCHEMBL23249688 0.81 TPI1 (0.50) TPI1BTN3A1
SCHEMBL6228266 0.80 TSHR (0.43) TPI1ALDH1A1CES2TDP1TSHR
SCHEMBL27815438 0.78

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-105296371-B Yeast with improved productivity and method for producing product 三星电子株式会社 2020-02-21 CN disclosed