SCHEMBL5532559

SCHEMBL5532559

OCCOC1c2c(OCc3ccccc3)cc(OCc3ccccc3)c(Br)c2OC(c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.34
▸ USP28 Q96RU2 1/20 0.34
▸ USP25 Q9UHP3 1/20 0.34
▸ PDE4D Q08499 4/20 0.33
▸ HTT P42858 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ SLC6A4 P31645 1/20 0.32
▸ SMPD1 P17405 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ PRMT5 O14744 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ SIRT1 Q96EB6 1/20 0.32
▸ KDM1A O60341 2/20 0.31
▸ NPC1 O15118 1/20 0.31

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
SCHEMBL5360708 1.00 APP (0.34) APPUSP28USP25PDE4DHTT
SCHEMBL14408048 0.82 PIN1 (0.37) APPPDE4DPDE4APDE4BPDE4C
SCHEMBL14408050 0.82 PIN1 (0.37) APPPDE4DPDE4APDE4BPDE4C
SCHEMBL3924177 0.82 PIN1 (0.37) APPPDE4DPDE4APDE4BPDE4C
SCHEMBL5361040 0.82 PIN1 (0.37) APPPDE4DPDE4APDE4BPDE4C
SCHEMBL5368378 0.76 MEN1 (0.34) USP28USP25HTTABCB1TP53
SCHEMBL5359985 0.75 APP (0.32) APPPDE4DPDE4APDE4BPDE4C
SCHEMBL5265250 0.74 MAPT (0.47) APPPDE4DPDE4APDE4BPDE4C
SCHEMBL5268319 0.71 PDE4A (0.38) APPPDE4DPDE4APDE4BPDE4C
SCHEMBL7412977 0.70 SNCA (0.39) —

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-20070276147-A1 Synthesis of Oligomeric Epicatechin- and Catechin-Derived Procyanidins KOZIKOWSKI ALAN P 2007-11-29 — — US claimed
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