SCHEMBL28244702

SCHEMBL28244702

C=CCC(=O)C1=CCCC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
CTSK P43235 1/20 0.37
GSTP1 P09211 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
SCHEMBL323973 0.94 HDAC2 (0.47) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL11112880 0.86
SCHEMBL3628786 0.80 HDAC4 (0.41) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL3629657 0.77 HDAC2 (0.44) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL15519321 0.77 HDAC2 (0.44) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL11057595 0.75 HDAC2 (0.43) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL11032178 0.75 HDAC2 (0.43) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL4557487 0.74 HDAC2 (0.46) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL9069679 0.74
SCHEMBL2702713 0.73 HDAC4 (0.40) HDAC4HDAC2HDAC8HDAC6HDAC3

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-108558622-A A kind of preparation method and products thereof of novel 5- allyls cyclopentenone 南京林业大学 2018-09-21 CN disclosed