SCHEMBL4733032

SCHEMBL4733032

CCC(=O)C=CCCCCCc1ccc(O)c(OC)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.77
LTA4H P09960 4/20 0.74
TRPV1 Q8NER1 4/20 0.74
CYP1A2 P05177 3/20 0.74
CYP3A4 P08684 3/20 0.74
ALOX5 P09917 3/20 0.74
CYP2D6 P10635 2/20 0.74
CYP2C8 P10632 2/20 0.74
CYP2C9 P11712 2/20 0.74
CYP2B6 P20813 2/20 0.74
CYP2C19 P33261 2/20 0.74
CYP2E1 P05181 1/20 0.74
CYP2A6 P11509 1/20 0.74
MEN1 O00255 1/20 0.54
TP53 P04637 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
MTOR P42345 1/20 0.54
KMT2A Q03164 1/20 0.54
MTNR1A P48039 1/20 0.52

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
SCHEMBL4886657 0.87 HTR1A (1.00) HTR1ALTA4HTRPV1CYP1A2CYP3A4
SCHEMBL29564343 0.87 HTR1A (1.00) HTR1ALTA4HTRPV1CYP1A2CYP3A4
SCHEMBL4885150 0.87 HTR1A (1.00) HTR1ALTA4HTRPV1CYP1A2CYP3A4
SCHEMBL29564502 0.87 HTR1A (1.00) HTR1ALTA4HTRPV1CYP1A2CYP3A4
SCHEMBL29929375 0.87 HTR1A (1.00) HTR1ALTA4HTRPV1CYP1A2CYP3A4
SCHEMBL4885163 0.87 HTR1A (1.00) HTR1ALTA4HTRPV1CYP1A2CYP3A4
SCHEMBL30335074 0.87 HTR1A (1.00) HTR1ALTA4HTRPV1CYP1A2CYP3A4
SCHEMBL4886648 0.87 HTR1A (1.00) HTR1ALTA4HTRPV1CYP1A2CYP3A4
Shogaol SCHEMBL971812 0.85 LTA4H (1.00) HTR1ALTA4HTRPV1CYP1A2CYP3A4
Shogaol SCHEMBL10523393 0.85 LTA4H (1.00) HTR1ALTA4HTRPV1CYP1A2CYP3A4

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
WO-2008064302-A2 METHODS FOR REDUCING CIRCULATING GLUCOSE LEVELS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2008-05-29 WO disclosed
WO-2005112965-A2 BOTANICAL ANTI-INFLAMMATORY COMPOSITIONS AND METHODS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2005-12-01 WO disclosed
EP-0750604-A1 A METHOD OF RENDERING ORGANIC COMPOUNDS SOLUBLE IN FATTY SYSTEMS, NOVEL CHEMICAL COMPLEXES OF SUCH COMPOUNDS AND VARIOUS APPLICATIONS OF THE COMPLEXES Weidner, Morten Sloth (DK) 1997-01-02 EP disclosed
WO-1995025084-A1 A METHOD OF RENDERING ORGANIC COMPOUNDS SOLUBLE IN FATTY SYSTEMS, NOVEL CHEMICAL COMPLEXES OF SUCH COMPOUNDS AND VARIOUS APPLICATIONS OF THE COMPLEXES WEIDNER MORTEN SLOTH (DK) 1995-09-21 WO disclosed