SCHEMBL5481982

SCHEMBL5481982

CCC(c1cc(C2CCCCC2)c(O)cc1C)c1cc(C2CCCCC2)c(O)cc1C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.39
BACE1 P56817 1/20 0.39
CYP2D6 P10635 2/20 0.37
TP53 P04637 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSP90AA1 P07900 1/20 0.36
CNR1 P21554 7/20 0.35
CNR2 P34972 6/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
THRB P10828 3/20 0.33
THRA P10827 2/20 0.33
PSMB5 P28074 1/20 0.33
CYP1A2 P05177 1/20 0.32
MAPK1 P28482 1/20 0.32
ACMSD Q8TDX5 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
SCHEMBL3184220 0.89 NUDT1 (0.40) NUDT1BACE1CYP2D6TP53CYP2C9
SCHEMBL3151782 0.88 TP53 (0.51) NUDT1BACE1CYP2D6TP53CYP2C9
SCHEMBL3180383 0.87 CYP2D6 (0.39) NUDT1BACE1CYP2D6TP53CYP2C9
SCHEMBL8975998 0.85 LNPEP (0.39) NUDT1BACE1CYP2D6TP53CYP2C9
SCHEMBL27626 0.84 NUDT1 (0.37) NUDT1BACE1CYP2D6TP53CYP2C9
SCHEMBL29381715 0.84 NUDT1 (0.37) NUDT1BACE1CYP2D6TP53CYP2C9
SCHEMBL29706608 0.84 NUDT1 (0.37) NUDT1BACE1CYP2D6TP53CYP2C9
SCHEMBL30345205 0.84 NUDT1 (0.37) NUDT1BACE1CYP2D6TP53CYP2C9
SCHEMBL3181813 0.84 NUDT1 (0.40) NUDT1BACE1CYP2D6HSP90AA1CNR1
SCHEMBL278769 0.84 NUDT1 (0.40) NUDT1BACE1CYP2D6HSP90AA1CNR1

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

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