SCHEMBL16197752

SCHEMBL16197752

CCCCOC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.50
KCNH2 Q12809 1/20 0.50
SLC6A11 P48066 4/20 0.47
SLC6A1 P30531 2/20 0.47
LTA4H P09960 4/20 0.43
HRH4 Q9H3N8 1/20 0.42
CA4 P22748 1/20 0.42
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A12 P48065 1/20 0.41
SLC6A13 Q9NSD5 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 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
SCHEMBL5819858 0.95 KIF11 (0.47) KIF11KCNH2SLC6A11SLC6A1LTA4H
SCHEMBL5819943 0.95 KIF11 (0.47) KIF11KCNH2SLC6A11SLC6A1LTA4H
SCHEMBL18413416 0.95 KIF11 (0.47) KIF11KCNH2SLC6A11SLC6A1LTA4H
SCHEMBL14879264 0.93 KIF11 (0.52) KIF11KCNH2SLC6A11SLC6A1LTA4H
SCHEMBL18803715 0.93 KIF11 (0.52) KIF11KCNH2SLC6A11SLC6A1LTA4H
SCHEMBL21574354 0.91 SLC6A11 (0.46) KIF11KCNH2SLC6A11SLC6A1LTA4H
SCHEMBL3398385 0.89 KIF11 (0.59) KIF11LTA4HHRH4CYP1A2
SCHEMBL15471570 0.88 KIF11 (0.43) KIF11KCNH2SLC6A11SLC6A1LTA4H
SCHEMBL18803698 0.87 KIF11 (0.51) KIF11KCNH2SLC6A11SLC6A1LTA4H
SCHEMBL4807143 0.87 KIF11 (0.48) KIF11KCNH2SLC6A11SLC6A1LTA4H

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
EP-3630848-B1 PROCESS FOR GALNAC OLIGONUCLEOTIDE CONJUGATES HOFFMANN LA ROCHE (CH) 2023-10-04 EP disclosed
WO-2014175974-A2 ARTIFICIAL NUCLEIC ACIDS ELITECH HOLDING B.V. (NL) 2014-10-30 WO disclosed