SCHEMBL19359031

SCHEMBL19359031

CCCCCCCCCCCCCOC(=O)C=Cc1ccc(C)c(C)c1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 8/20 0.72
TTR P02766 1/20 0.51
DPP4 P27487 1/20 0.51
HCAR2 Q8TDS4 2/20 0.50
ALOX5 P09917 2/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
FDPS P14324 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 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
SCHEMBL19359027 1.00 APP (0.72) APPTTRDPP4HCAR2ALOX5
SCHEMBL14727949 0.90 APP (0.81) APPTTRDPP4
SCHEMBL28884853 0.88 APP (0.68) APPTTRDPP4HCAR2ALOX5
SCHEMBL10482468 0.87 APP (0.76) APPHCAR2HTTSMN1; SMN2CA12
SCHEMBL27627337 0.85 APP (0.66) APPHCAR2ALOX5HTTSMN1; SMN2
SCHEMBL17321170 0.85 APP (0.66) APPHCAR2ALOX5HTTSMN1; SMN2
SCHEMBL974015 0.85 APP (0.69) APPHCAR2HTTSMN1; SMN2CA12
SCHEMBL9243655 0.85 APP (0.69) APPHCAR2HTTSMN1; SMN2CA12
SCHEMBL11266625 0.84 TTR (0.69) APPTTRDPP4ALOX5SMN1; SMN2
SCHEMBL11266626 0.84 TTR (0.69) APPTTRDPP4ALOX5SMN1; SMN2

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
WO-2017161093-A1 CAFFEIC ACID DERIVATIVES AND USES THEREOF MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2017-09-21 WO claimed
WO-2017161093-A1 CAFFEIC ACID DERIVATIVES AND USES THEREOF MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2017-09-21 WO disclosed