SCHEMBL2864394

SCHEMBL2864394

Cc1ccc(C(c2cc(C3CCCCC3)c(O)cc2C)c2cc(C3CCCCC3)c(O)cc2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.37
BACE1 P56817 1/20 0.37
HSP90AA1 P07900 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 2/20 0.33
PSMB5 P28074 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 1/20 0.33
CNR1 P21554 3/20 0.32
CNR2 P34972 3/20 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
SCHEMBL29499852 0.92 NUDT1 (0.37) NUDT1BACE1HSP90AA1PTGDR2PSMB5
SCHEMBL29372915 0.92 NUDT1 (0.37) NUDT1BACE1HSP90AA1PTGDR2PSMB5
SCHEMBL36658 0.92 NUDT1 (0.37) NUDT1BACE1HSP90AA1PTGDR2PSMB5
SCHEMBL278752 0.89 NUDT1 (0.37) NUDT1BACE1HSP90AA1PTGDR2LMNA
SCHEMBL29375152 0.88 HIF1A (0.39) NUDT1BACE1HSP90AA1KMT2AMEN1
SCHEMBL30374860 0.88 HIF1A (0.39) NUDT1BACE1HSP90AA1KMT2AMEN1
SCHEMBL36430 0.88 HIF1A (0.39) NUDT1BACE1HSP90AA1KMT2AMEN1
SCHEMBL31048174 0.87 PTGDR2 (0.39) NUDT1BACE1PTGDR2KMT2AMEN1
SCHEMBL5478536 0.87 PTGDR2 (0.39) NUDT1BACE1PTGDR2KMT2AMEN1
SCHEMBL2865453 0.87 SLC6A9 (0.36) NUDT1BACE1HSP90AA1CNR1CNR2

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