SCHEMBL28567775

SCHEMBL28567775

CCCOC(C)C(=O)OOC(=O)C(C)OCCC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.32
ATM Q13315 1/20 0.32
TSHR P16473 2/20 0.31
ESR1 P03372 1/20 0.31
CHRM1 P11229 1/20 0.31
SLC6A2 P23975 1/20 0.31
KDR P35968 1/20 0.31
NAAA Q02083 1/20 0.31
DGKA P23743 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.30
ACHE P22303 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
SCHEMBL6000534 0.87 HCAR2 (0.31) ALDH1A1HSD17B10HCAR2
SCHEMBL3027521 0.86 HCAR2 (0.39) ALDH1A1HSD17B10HCAR2TDP1LMNA
SCHEMBL28562195 0.86 TDP1 (0.40) HSD17B10TDP1MAPT
SCHEMBL3030911 0.84 CA1 (0.41) ALDH1A1HSD17B10HCAR2TSHRCHRNB2
SCHEMBL3027745 0.84 ALDH1A1 (0.40) ALDH1A1HSD17B10HCAR2TDP1LMNA
SCHEMBL9634932 0.84 CA1 (0.41) ALDH1A1HSD17B10HCAR2TSHRCHRNB2
SCHEMBL9786483 0.84 ALDH1A1 (0.40) ALDH1A1HSD17B10HCAR2TDP1LMNA
Ammonia Solution, Strong SCHEMBL25292662 0.80 HCAR2 (0.31) ALDH1A1HSD17B10HCAR2TDP1
Cesium SCHEMBL30901355 0.80 HCAR2 (0.31) ALDH1A1HSD17B10HCAR2TDP1
SCHEMBL30901354 0.80 HCAR2 (0.31) ALDH1A1HSD17B10HCAR2TDP1

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-112679647-B 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 2022-11-11 CN disclosed
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