SCHEMBL2865453

SCHEMBL2865453

Cc1cc(O)c(C2CCCCC2)cc1C(c1ccc(-c2ccccc2)cc1)c1cc(C2CCCCC2)c(O)cc1C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.36
NUDT1 P36639 1/20 0.34
BACE1 P56817 1/20 0.34
HSP90AA1 P07900 1/20 0.34
CAMKK1 Q8N5S9 3/20 0.33
CAMKK2 Q96RR4 3/20 0.33
APP P05067 1/20 0.33
CYP17A1 P05093 1/20 0.33
PTGS2 P35354 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL278752 0.92 NUDT1 (0.37) NUDT1BACE1HSP90AA1
SCHEMBL36658 0.87 NUDT1 (0.37) NUDT1BACE1HSP90AA1
SCHEMBL29372915 0.87 NUDT1 (0.37) NUDT1BACE1HSP90AA1
SCHEMBL2864394 0.87 NUDT1 (0.37) NUDT1BACE1HSP90AA1CNR1CNR2
SCHEMBL29499852 0.87 NUDT1 (0.37) NUDT1BACE1HSP90AA1
Diphenylmethane SCHEMBL28899035 0.85 OPRK1 (0.36) NUDT1BACE1
SCHEMBL36430 0.83 HIF1A (0.39) NUDT1BACE1HSP90AA1
SCHEMBL29375152 0.83 HIF1A (0.39) NUDT1BACE1HSP90AA1
SCHEMBL30374860 0.83 HIF1A (0.39) NUDT1BACE1HSP90AA1
SCHEMBL31048174 0.82 PTGDR2 (0.39) NUDT1BACE1CNR1CNR2

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
US-20070299164-A1 Heatcurable dielectric resin composition and heatcurable dielectric resin film NIPPON PAINT CO., LTD. (JP) 2007-12-27 US 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-1688965-A2 Heatcurable dielectric resin composition and heatcurable dielectric resin film Nippon Paint Co., Ltd. (JP) 2006-08-09 EP disclosed