SCHEMBL6860229

SCHEMBL6860229

C=CCc1ccc(OC(=O)CCC(=O)OC(C)(C)O)c(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.63
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
CYP3A4 P08684 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ALDH1A1 P00352 4/20 0.56
PPARA Q07869 3/20 0.56
PPARG P37231 1/20 0.56
PPARD Q03181 1/20 0.56
PRSS1 P07477 1/20 0.54
ACR P10323 1/20 0.54
MAPT P10636 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
KDM4E B2RXH2 2/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51

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
SCHEMBL6861607 0.90 PTGS1 (0.76) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL30464902 0.90 PTGS1 (0.76) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL6863539 0.86 PTGS1 (0.71) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL6860375 0.86 PTGS1 (0.60) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL19900582 0.85 PTGS1 (0.69) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL25685503 0.84 PTGS1 (0.67) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL9309716 0.84 PTGS1 (0.71) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL6860993 0.83 ALOX15 (0.47) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL25777398 0.83 PTGS1 (0.66) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL10584786 0.83 PTGS1 (0.69) PTGS1MEN1KMT2ACYP3A4TDP1

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
WO-2011089576-A2 NOVEL COMPOSITIONS FOR REDUCING Aß 42 PRODUCTION AND THEIR USE IN TREATING ALZHEIMER'S DISEASE (AD) KAREUS THERAPEUTTICS SA (CH) 2011-07-28 WO disclosed