SCHEMBL16005745

SCHEMBL16005745

CCCCCC(OCC)(OCC)Oc1ccccc1O.COc1ccccc1-c1ccnnn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.44
CNR2 P34972 4/20 0.44
TLR8 Q9NR97 1/20 0.35
KCNN4 O15554 1/20 0.34
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
APAF1 O14727 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 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
SCHEMBL64303 0.86 CNR1 (0.45) CNR1CNR2TLR8KCNN4KDM4E
SCHEMBL28914891 0.85 CNR1 (0.44) CNR1CNR2TLR8KCNN4KDM4E
Guaiacol SCHEMBL29291132 0.85 CNR1 (0.44) CNR1CNR2TLR8KCNN4KDM4E
SCHEMBL693460 0.81 CNR1 (0.42) CNR1CNR2TLR8KDM4EHSD17B10
SCHEMBL541095 0.80 CNR1 (0.43) CNR1CNR2TLR8KCNN4KDM4E
SCHEMBL1276209 0.80 CNR1 (0.36) CNR1CNR2TLR8KCNN4MEN1
SCHEMBL3515867 0.80 CNR1 (0.43) CNR1CNR2GAAMAPTCA1
SCHEMBL28394137 0.79 TSHR (0.38) CNR1CNR2KCNN4KDM4EHSD17B10
SCHEMBL2896021 0.78 CNR1 (0.37) CNR1CNR2TLR8KCNN4KDM4E
SCHEMBL3847179 0.78 PTGS2 (0.47) CNR1CNR2TLR8KDM4EMEN1

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
EP-2361608-B1 O/W EMULSION COMPOSITION SHISEIDO CO LTD (JP) 2014-09-10 EP disclosed