SCHEMBL8899236

SCHEMBL8899236

CCCCCCCCCCCCCCCC(OCc1ccccc1)C(CCCCCCCCCCCCCC)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.49
CTRC Q99895 1/20 0.46
CNR2 P34972 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
PPARG P37231 1/20 0.43
CSNK1E P49674 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL2089282 1.00 CETP (0.49) CETPCTRCCNR2SIRT2SIRT1
SCHEMBL27742299 1.00 CETP (0.49) CETPCTRCCNR2SIRT2SIRT1
SCHEMBL2089840 1.00 CETP (0.49) CETPCTRCCNR2SIRT2SIRT1
SCHEMBL2088804 1.00 CETP (0.49) CETPCTRCCNR2SIRT2SIRT1
SCHEMBL2088824 1.00 CETP (0.49) CETPCTRCCNR2SIRT2SIRT1
SCHEMBL2087815 1.00 CETP (0.49) CETPCTRCCNR2SIRT2SIRT1
SCHEMBL2088389 1.00 CETP (0.49) CETPCTRCCNR2SIRT2SIRT1
SCHEMBL8898336 1.00 CETP (0.49) CETPCTRCCNR2SIRT2SIRT1
SCHEMBL2088395 0.97 CETP (0.46) CETPCTRCCNR2PTGESALOX5
SCHEMBL2088889 0.97 CETP (0.46) CETPCTRCCNR2PTGESALOX5

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
EP-0356154-B1 Trehalose derivatives SAWAI SEIYAKU KK (JP) 1997-04-09 EP disclosed