SCHEMBL2858575

SCHEMBL2858575

Cc1ccc(C(c2ccc(O)c(C3CCCCC3)c2)c2ccc(O)c(C3CCCCC3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.46
BACE1 P56817 1/20 0.46
HSP90AA1 P07900 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 3/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
THRB P10828 2/20 0.35
ACMSD Q8TDX5 1/20 0.35
TSHR P16473 1/20 0.35
NPC1 O15118 2/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
ADCY1 Q08828 1/20 0.33

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
SCHEMBL9136653 0.88 NUDT1 (0.46) NUDT1BACE1HSP90AA1PTGDR2THRB
SCHEMBL29375732 0.88 NUDT1 (0.48) NUDT1BACE1HSP90AA1KMT2AMEN1
SCHEMBL761682 0.88 NUDT1 (0.48) NUDT1BACE1HSP90AA1KMT2AMEN1
SCHEMBL2861169 0.86 NUDT1 (0.47) NUDT1BACE1HSP90AA1PTGDR2KMT2A
SCHEMBL2201799 0.86 NUDT1 (0.49) NUDT1BACE1HSP90AA1KMT2AMEN1
SCHEMBL2868233 0.82 HSP90AA1 (0.43) NUDT1BACE1HSP90AA1PTGDR2KMT2A
SCHEMBL10455337 0.82 NUDT1 (0.54) NUDT1BACE1HSP90AA1PTGDR2KMT2A
SCHEMBL2702248 0.82 NUDT1 (0.54) NUDT1BACE1HSP90AA1PTGDR2KMT2A
SCHEMBL28723110 0.82 NUDT1 (0.54) NUDT1BACE1HSP90AA1PTGDR2KMT2A
SCHEMBL28722733 0.82 NUDT1 (0.54) NUDT1BACE1HSP90AA1PTGDR2KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713449-B2 Polymer electrolytic material, polymer electrolytic part, membrane electrode assembly, and polymer electrolyte fuel cell TORAY INDUSTRIES, INC. (JP) 2010-05-11 US disclosed
CN-100364160-C Polymer electrolyte material, polymer electrolyte part, membrane electrode composite and polymer electrolyte type fuel cell TORAY INDUSTRIES (JP) 2008-01-23 CN disclosed
US-20060180796-A1 Polymer electrolyte material, polymer electrolyte part, membrane electrode composite and polymer electrolyte type fuel cell TORAY INDUSTRIES, INC. (JP) 2006-08-17 US disclosed
EP-1619735-A1 POLYMER ELECTROLYTE MATERIAL, POLYMER ELECTROLYTE PART, MEMBRANE ELECTRODE COMPOSITE AND POLYMER ELECTROLYTE TYPE FUEL CELL TORAY INDUSTRIES, INC. (JP) 2006-01-25 EP disclosed