SCHEMBL29129595

SCHEMBL29129595

C=CCOC(=O)COC(=O)CC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
TSHR P16473 4/20 0.44
GAA P10253 3/20 0.41
MGAM O43451 2/20 0.41
SI P14410 2/20 0.41
MGAM2 Q2M2H8 2/20 0.41
MAPT P10636 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
ALDH1A1 P00352 8/20 0.36
HSD17B10 Q99714 5/20 0.36
KDM4E B2RXH2 4/20 0.36
HPGD P15428 4/20 0.36
CYP3A4 P08684 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
PKM P14618 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.32
EPHX2 P34913 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
SCHEMBL9513 0.92 TSHR (0.50) TDP1TSHRGAAMGAMSI
Acetone SCHEMBL28861611 0.90 TSHR (0.48) TDP1TSHRGAAMGAMSI
SCHEMBL1616122 0.90 TSHR (0.48) TDP1TSHRGAAMGAMSI
Hydrochloric Acid SCHEMBL28225884 0.90 TSHR (0.48) TDP1TSHRGAAMGAMSI
SCHEMBL2221470 0.90 TSHR (0.48) TDP1TSHRGAAMGAMSI
SCHEMBL5134550 0.90 TSHR (0.48) TDP1TSHRGAAMGAMSI
SCHEMBL5702374 0.90 TSHR (0.48) TDP1TSHRGAAMGAMSI
Acetic Acid SCHEMBL28081680 0.88 TSHR (0.47) TDP1TSHRGAAMGAMSI
Acetic Acid SCHEMBL28073191 0.86 TSHR (0.46) TDP1TSHRGAAMGAMSI
Acetoacetic Acid SCHEMBL1318189 0.85 TSHR (0.44) TDP1TSHRGAAMGAMSI

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-117247490-A Anti-graffiti acrylic emulsion and preparation method and application thereof 万华化学集团股份有限公司 2023-12-19 CN claimed
CN-117247490-A Anti-graffiti acrylic emulsion and preparation method and application thereof 万华化学集团股份有限公司 2023-12-19 CN disclosed