SCHEMBL28539062

SCHEMBL28539062

CC(C)N(C)C(=O)C(C)(C(C)C)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
DPP4 P27487 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
SCHEMBL6656541 0.80 POLB (0.32) POLBDPP4
SCHEMBL8570280 0.79 POLB (0.34) POLBDPP4
SCHEMBL2947259 0.79 ALDH1A1 (0.32) POLB
SCHEMBL26700648 0.78 POLB (0.31) POLB
SCHEMBL20402670 0.77 POLB (0.33) POLB
Acetonitrile SCHEMBL11503668 0.75 DPP4 (0.39) DPP4
SCHEMBL23869968 0.73 POLB (0.31) POLB
SCHEMBL16000128 0.72 CHRM2 (0.50)
SCHEMBL22809834 0.71 POLB (0.30) POLB
SCHEMBL613970 0.71 RIPK1 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112566507-A Obtaining volatile fraction from fruit and vegetable juice or alcoholic beverage 西姆莱斯有限公司 2021-03-26 CN disclosed