SCHEMBL28565203

SCHEMBL28565203

COCCOCCOCC(=O)OOC(=O)COCCOCCOC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.35
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
NAMPT P43490 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ABCB11 O95342 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADRA2B P18089 1/20 0.31
OPRD1 P41143 1/20 0.31
SCN5A Q14524 1/20 0.31
EPHX2 P34913 2/20 0.30
CES2 O00748 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
SCHEMBL30179205 0.86 TSHR (0.42) CA2TSHRALDH1A1NAMPTABCB11
SCHEMBL8390474 0.86 CA2 (0.35) CA2TSHRALDH1A1NAMPTTDP1
SCHEMBL31672720 0.86 TSHR (0.42) CA2TSHRALDH1A1NAMPTABCB11
SCHEMBL15360069 0.86 TSHR (0.42) CA2TSHRALDH1A1NAMPTABCB11
SCHEMBL5049754 0.86 TSHR (0.42) CA2TSHRALDH1A1NAMPTABCB11
SCHEMBL16917910 0.86 TSHR (0.42) CA2TSHRALDH1A1NAMPTABCB11
SCHEMBL4405371 0.83 ALDH1A1 (0.35) CA2TSHRALDH1A1NAMPTTDP1
SCHEMBL518145 0.83 TSHR (0.43) CA2TSHRALDH1A1NAMPTTDP1
SCHEMBL27514455 0.83 ALDH1A1 (0.33) TSHRALDH1A1CES2
SCHEMBL290919 0.82 TDP1 (0.33) CA2TSHRALDH1A1NAMPTTDP1

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-112679647-A Method for preparing meltable polytetrafluoroethylene emulsion with high solid content by miniemulsion polymerization 山东华夏神舟新材料有限公司 2021-04-20 CN disclosed