SCHEMBL28532504

SCHEMBL28532504

CCCC(O)c1nccn1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 2/20 0.49
CYP2D6 P10635 1/20 0.43
MAPT P10636 3/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
IDO1 P14902 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
FGB P02675 1/20 0.37
TNNI3 P19429 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
BRCA1 P38398 1/20 0.37

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
Bromide SCHEMBL28489470 0.98 L3MBTL1 (0.48) L3MBTL1KDM4ECYP2D6MAPTALOX15
Sulfuric Acid SCHEMBL29540452 0.92 L3MBTL1 (0.43) L3MBTL1KDM4ECYP2D6MAPTALOX15
Acetic Acid SCHEMBL28482959 0.92 KDM4E (0.46) L3MBTL1KDM4ECYP2D6MAPTALOX15
SCHEMBL28317432 0.88 L3MBTL1 (0.46) L3MBTL1KDM4ECYP2D6MAPTALOX15
SCHEMBL28942503 0.88 L3MBTL1 (0.46) L3MBTL1KDM4ECYP2D6MAPTALOX15
SCHEMBL14665069 0.85 KDM4E (0.51) L3MBTL1KDM4ECYP2D6MAPTALOX15
Benzoic Acid SCHEMBL23500111 0.84 CYP2D6 (0.51) L3MBTL1KDM4ECYP2D6MAPTALOX15
SCHEMBL31054162 0.81 KDM4E (0.51) L3MBTL1KDM4ECYP2D6MAPTALOX15
SCHEMBL26017934 0.79 L3MBTL1 (0.43) L3MBTL1KDM4ECYP2D6MAPTALOX15
SCHEMBL17385605 0.79 KDM4E (0.50) L3MBTL1KDM4ECYP2D6MAPTALOX15

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114437018-B Method for preparing 1, 4-dioxane compound by dehydration cyclization of diol compound 中国科学院化学研究所 2023-06-20 CN claimed
CN-108508593-B Polar fluid for electrowetting display and electrowetting display 华南师范大学 2021-03-05 CN claimed
CN-114436786-A Method for preparing ether compound by dehydration of monohydric alcohol 中国科学院化学研究所 2022-05-06 CN disclosed
CN-108508593-B Polar fluid for electrowetting display and electrowetting display 华南师范大学 2021-03-05 CN disclosed