SCHEMBL28436688

SCHEMBL28436688

C/C=C/C=C/C(=O)OCC.[KH]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.54
MAPT P10636 4/20 0.44
LMNA P02545 3/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ALDH1A1 P00352 3/20 0.40
ATM Q13315 1/20 0.39
TTR P02766 1/20 0.39
DPP4 P27487 1/20 0.39
GLO1 Q04760 1/20 0.38
HSD17B10 Q99714 1/20 0.37
MDM2 Q00987 1/20 0.37
CYP3A4 P08684 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
SCHEMBL345936 0.98 HCAR2 (0.56) HCAR2MAPTLMNAMAPK1HTT
SCHEMBL345935 0.98 HCAR2 (0.56) HCAR2MAPTLMNAMAPK1HTT
SCHEMBL11792235 0.98 HCAR2 (0.56) HCAR2MAPTLMNAMAPK1HTT
SCHEMBL28251620 0.98 HCAR2 (0.56) HCAR2MAPTLMNAMAPK1HTT
SCHEMBL329729 0.96 HCAR2 (0.54) HCAR2MAPTLMNAMAPK1HTT
SCHEMBL38662185 0.96 HCAR2 (0.54) HCAR2MAPTLMNAMAPK1HTT
SCHEMBL7020451 0.96 HCAR2 (0.54) HCAR2MAPTLMNAMAPK1HTT
SCHEMBL7020452 0.96 HCAR2 (0.54) HCAR2MAPTLMNAMAPK1HTT
SCHEMBL8654856 0.96 HCAR2 (0.54) HCAR2MAPTLMNAMAPK1HTT
SCHEMBL330246 0.96 HCAR2 (0.54) HCAR2MAPTLMNAMAPK1HTT

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-111480751-A Roxburgh rose beverage formula and preparation method thereof 贵州工程应用技术学院 2020-08-04 CN claimed
CN-111480751-A Roxburgh rose beverage formula and preparation method thereof 贵州工程应用技术学院 2020-08-04 CN disclosed