SCHEMBL4728582

SCHEMBL4728582

CCCCCCCCCC=CC=CC=Cc1c(O)cccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC37A4 O43826 1/20 0.45
HTR1A P08908 3/20 0.45
TRPV1 Q8NER1 3/20 0.43
ALOX5 P09917 2/20 0.43
LTA4H P09960 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2E1 P05181 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2A6 P11509 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2B6 P20813 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTGS2 P35354 1/20 0.42
MAPT P10636 3/20 0.41
BACE1 P56817 2/20 0.41
APP P05067 1/20 0.41
F7 P08709 3/20 0.41
F3 P13726 3/20 0.41

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
SCHEMBL904356 0.88 F7 (0.47) MAPTF7F3MMP2KDM4E
SCHEMBL402886 0.86 F7 (0.48) MAPTF7F3MMP2KDM4E
Methoxymethane SCHEMBL4653550 0.79 F7 (0.41) SLC37A4MAPTF7F3MMP2
SCHEMBL4797367 0.77 F7 (0.43) MAPTF7F3MMP2KDM4E
SCHEMBL11043454 0.76 IAPP (0.52) MAPTF7F3MMP2KDM4E
Methoxymethane SCHEMBL4801380 0.76 F7 (0.57) SLC37A4MAPTF7F3MMP2
SCHEMBL28810978 0.76 F7 (0.51) SLC37A4MAPTF7F3MMP2
SCHEMBL31546012 0.76 F7 (0.51) SLC37A4MAPTF7F3MMP2
SCHEMBL31545331 0.76 F7 (0.51) SLC37A4MAPTF7F3MMP2
SCHEMBL28947595 0.76 F7 (0.51) SLC37A4MAPTF7F3MMP2

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-2008028098-A2 A NOVEL O-METHYLTRANSFERASE GENE FROM SORGHUM CLONING, EXPRESSION, TRANSFORMATION AND CHARACTERIZATION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2008-03-06 WO disclosed