SCHEMBL13827293

SCHEMBL13827293

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCNC(=O)Oc1ccc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 7/20 0.54
▸ MAPT P10636 5/20 0.54
▸ PTGES O14684 4/20 0.54
▸ BACE1 P56817 3/20 0.54
▸ HDAC3 O15379 3/20 0.54
▸ HDAC1 Q13547 3/20 0.54
▸ HDAC2 Q92769 3/20 0.54
▸ HDAC6 Q9UBN7 3/20 0.54
▸ TOP2A P11388 3/20 0.54
▸ NFKB1 P19838 3/20 0.54
▸ CYP2D6 P10635 2/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ TSHR P16473 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ ABCB1 P08183 2/20 0.54
▸ AKR1B1 P15121 2/20 0.54
▸ MAOA P21397 2/20 0.54
▸ MAOB P27338 2/20 0.54
▸ HDAC4 P56524 2/20 0.54
▸ HDAC7 Q8WUI4 2/20 0.54

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
SCHEMBL13827462 0.95 APP (0.51) APPMAPTPTGESBACE1HDAC3
SCHEMBL13827466 0.95 APP (0.53) APPMAPTPTGESBACE1HDAC3
SCHEMBL13827611 0.94 APP (0.50) APPMAPTPTGESBACE1HDAC3
SCHEMBL13827449 0.94 APP (0.49) APPMAPTPTGESBACE1HDAC3
SCHEMBL13827364 0.90 MAPT (0.49) APPMAPTPTGESBACE1HDAC3
SCHEMBL13827609 0.89 MAPT (0.48) APPMAPTPTGESBACE1HDAC3
SCHEMBL12650132 0.86 APP (0.62) APPMAPTPTGESBACE1HDAC3
SCHEMBL15617980 0.83 TOP2A (0.65) APPMAPTPTGESBACE1HDAC3
SCHEMBL12601813 0.79 MMP9 (0.63) APPMAPTPTGESBACE1HDAC3
SCHEMBL15617979 0.77 TOP2A (0.71) APPMAPTPTGESBACE1HDAC3

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-2012154564-A1 FATTY ACID PHENOLIC DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2012-11-15 — — WO disclosed
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