SCHEMBL28517686

SCHEMBL28517686

CCC1(O)C=CC=CC1Oc1ccccc1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
CYP2D6 P10635 1/20 0.36
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 2/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 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
SCHEMBL28569372 0.81 FFAR1 (0.30)
1,2-Dimethoxybenzene SCHEMBL23573009 0.66 CA1 (0.77) CA1CA2CA12CA4CA7
1,2-Dimethoxybenzene SCHEMBL27576916 0.63 CA1 (0.81) CA1CA2CA12CA4CA7
SCHEMBL28499214 0.63 POLA1 (0.33)
SCHEMBL28566586 0.61
1,2-Dimethoxybenzene SCHEMBL27891985 0.61 CA1 (0.87) CA1CA2CA12CA4CA7
1,2-Dimethoxybenzene SCHEMBL5308636 0.61 CA1 (1.00) CA1CA2CA12CA4CA7
1,2-Dimethoxybenzene SCHEMBL29351917 0.61 CA1 (1.00) CA1CA2CA12CA4CA7
1,2-Dimethoxybenzene SCHEMBL105872 0.61 CA1 (1.00) CA1CA2CA12CA4CA7
SCHEMBL28362571 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112295598-B VMoMOx/HZSM-5 composite catalyst, preparation method and application thereof 山东科技大学 2022-07-01 CN disclosed
CN-108970604-B Molybdenum vanadium niobium-based composite oxide and synthesis method and application thereof 中国科学院青岛生物能源与过程研究所 2021-08-24 CN disclosed
CN-112295598-A VMoMOx/HZSM-5 composite catalyst, preparation method and application thereof 山东科技大学 2021-02-02 CN disclosed