SCHEMBL29070262

SCHEMBL29070262

CCOc1ncc(CC(C)C)nc1C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
HIF1A Q16665 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
CACNA2D1 P54289 1/20 0.33
PDE1A P54750 3/20 0.30
PDE1B Q01064 3/20 0.30
PDE1C Q14123 3/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL11213705 0.84 NOS3 (0.36) CYP1A2CYP2C9HIF1ANOS3NOS1
SCHEMBL9953928 0.77 NOS3 (0.41) CYP1A2CYP2C9HIF1ANOS3NOS1
SCHEMBL31374320 0.77 NOS3 (0.41) CYP1A2CYP2C9HIF1ANOS3NOS1
SCHEMBL22296094 0.75 NOS3 (0.37) CYP1A2CYP2C9HIF1ANOS3NOS1
SCHEMBL28578767 0.74 NOS3 (0.39) NOS3NOS1NOS2CACNA2D1
SCHEMBL16432838 0.74 NOS3 (0.36) CYP1A2CYP2C9HIF1ANOS3NOS1
SCHEMBL28695215 0.74 GRM5 (0.36) MEN1KMT2A
SCHEMBL29131679 0.73 TRPM8 (0.37) NOS3NOS1NOS2KMT2A
SCHEMBL30505752 0.73 TRPM8 (0.37) NOS3NOS1NOS2KMT2A
SCHEMBL29070263 0.71 NOS2 (0.33) CYP1A2CYP2C9HIF1ANOS2

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-116478851-B Burdock powder flavor improvement strain and preparation method of microbial powder starter thereof 江苏省农业科学院 2024-08-23 CN disclosed
CN-116478851-A Burdock powder flavor improvement strain and preparation method of microbial powder starter thereof 江苏省农业科学院 2023-07-25 CN disclosed