SCHEMBL9767329

SCHEMBL9767329

CCCCCCCCCCCCC(CC(C)(C)O)C1=CC(=O)OC1O

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDCD4 Q53EL6 8/20 0.39
CDC25A P30304 5/20 0.33
CDC25B P30305 5/20 0.33
DAGLA Q9Y4D2 1/20 0.33

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
SCHEMBL9767030 0.81 PDCD4 (0.39) PDCD4DAGLA
SCHEMBL9767002 0.81 GPR84 (0.42) PDCD4
SCHEMBL9766912 0.80 PDCD4 (0.39) PDCD4CDC25ACDC25BDAGLA
SCHEMBL7296014 0.79 PDCD4 (0.47) PDCD4CDC25ACDC25BDAGLA
SCHEMBL9766890 0.79 FAAH (0.37) PDCD4
SCHEMBL9422969 0.77 PDCD4 (0.42) PDCD4CDC25ACDC25BDAGLA
SCHEMBL9746833 0.76 PDCD4 (0.40) PDCD4CDC25ACDC25BDAGLA
SCHEMBL9745250 0.75 PDCD4 (0.41) PDCD4DAGLA
SCHEMBL9744998 0.74 PDCD4 (0.40) PDCD4DAGLA
SCHEMBL9745274 0.73 PDCD4 (0.39) PDCD4CDC25ACDC25BDAGLA

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
US-5013850-A 4-ethyl and 4-ethenyl-5-hydroxy-2(5H)-furanones substituted on alpha carbon of the ethyl or ethenyl side chain with a long chain alkyl group and on the beta carbon with a polar group, as anti-inflammatory agents ALLERGAN, INC. (US) 1991-05-07 US disclosed