SCHEMBL5546322

SCHEMBL5546322

CCCCCCc1ccc(OCCOC)cc1O

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.67
TYR P14679 2/20 0.60
MEN1 O00255 1/20 0.60
TP53 P04637 1/20 0.60
CYP3A4 P08684 1/20 0.60
ALOX5 P09917 1/20 0.60
MAPT P10636 1/20 0.60
ALOX15 P16050 1/20 0.60
TSHR P16473 1/20 0.60
HTT P42858 1/20 0.60
KMT2A Q03164 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
CNR1 P21554 4/20 0.59
NR5A1 Q13285 1/20 0.51

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
SCHEMBL4807422 0.96 CNR2 (0.62) CNR2TYRMEN1TP53CYP3A4
SCHEMBL4804282 0.96 CNR2 (0.62) CNR2TYRMEN1TP53CYP3A4
SCHEMBL4804633 0.96 CNR2 (0.62) CNR2TYRMEN1TP53CYP3A4
Phenol SCHEMBL4854650 0.94 CNR2 (0.60) CNR2TYRMEN1TP53CYP3A4
SCHEMBL9939329 0.87 CNR2 (0.72) CNR2TYRMEN1TP53CYP3A4
SCHEMBL30942500 0.85 TYR (0.68) CNR2TYRMEN1TP53CYP3A4
SCHEMBL4808524 0.85 MEN1 (0.51) CNR2MEN1CYP3A4TSHRKMT2A
SCHEMBL28187534 0.83 ALOX5 (0.70) CNR2TYRMEN1TP53CYP3A4
SCHEMBL28186760 0.83 ALOX5 (0.70) CNR2TYRMEN1TP53CYP3A4
SCHEMBL28186787 0.83 ALOX5 (0.70) CNR2TYRMEN1TP53CYP3A4

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
WO-2007030117-A2 MULTIFUNCTIONAL SELF-DECONTAMINATING SURFACE COATING THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2007-03-15 WO disclosed