SCHEMBL28558495

SCHEMBL28558495

CCCCCCC[C@H](O)C(C)=O

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.68
FFAR1 O14842 2/20 0.68
FFAR4 Q5NUL3 1/20 0.50
MAPT P10636 1/20 0.48
LCK P06239 1/20 0.48
PPARD Q03181 1/20 0.48
ZDHHC20 Q5W0Z9 1/20 0.48
ZDHHC2 Q9UIJ5 1/20 0.48

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
SCHEMBL1783714 1.00 GPR84 (0.68) GPR84FFAR1FFAR4MAPTLCK
SCHEMBL1782851 1.00 GPR84 (0.68) GPR84FFAR1FFAR4MAPTLCK
SCHEMBL1784765 1.00 GPR84 (0.68) GPR84FFAR1FFAR4MAPTLCK
SCHEMBL669623 1.00 GPR84 (0.68) GPR84FFAR1FFAR4MAPTLCK
SCHEMBL1785430 1.00 GPR84 (0.68) GPR84FFAR1FFAR4MAPTLCK
SCHEMBL6494854 1.00 GPR84 (0.68) GPR84FFAR1FFAR4MAPTLCK
SCHEMBL1783344 1.00 GPR84 (0.68) GPR84FFAR1FFAR4MAPTLCK
SCHEMBL15867154 1.00 GPR84 (0.68) GPR84FFAR1FFAR4MAPTLCK
SCHEMBL1786126 1.00 GPR84 (0.68) GPR84FFAR1FFAR4MAPTLCK
SCHEMBL1785014 1.00 GPR84 (0.68) GPR84FFAR1FFAR4MAPTLCK

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-112679325-B Preparation method of longicorn sex pheromone 2, 3-diketone series compounds and derivatives thereof 华南农业大学 2022-09-30 CN disclosed
CN-112679325-A Preparation method of longicorn sex pheromone 2, 3-diketone series compounds and derivatives thereof 华南农业大学 2021-04-20 CN disclosed