SCHEMBL22326281

SCHEMBL22326281

O=C(O)NCCCCOCCOCCOCCOCCOCCOCCOCCOCCO

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
THRB P10828 1/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
EPHX2 P34913 7/20 0.40
ACHE P22303 5/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL22326294 1.00 MEN1 (0.45) MEN1KMT2ATHRBHTTMAPT
SCHEMBL21068628 1.00 MEN1 (0.45) MEN1KMT2ATHRBHTTMAPT
SCHEMBL21070962 0.98 MEN1 (0.48) MEN1KMT2ATHRBHTTMAPT
SCHEMBL22326327 0.98 MEN1 (0.48) MEN1KMT2ATHRBHTTMAPT
SCHEMBL25369822 0.98 MEN1 (0.42) MEN1KMT2ATHRBHTTMAPT
SCHEMBL21070920 0.96 MEN1 (0.45) MEN1KMT2ATHRBHTTMAPT
SCHEMBL21069080 0.94 MEN1 (0.46) MEN1KMT2ATHRBHTTMAPT
SCHEMBL19306452 0.92 TSHR (0.43) MEN1KMT2ATHRBHTTMAPT
SCHEMBL25385542 0.85 MEN1 (0.50) MEN1KMT2ATHRBHTTMAPT
SCHEMBL23636435 0.85 MEN1 (0.50) MEN1KMT2ATHRBHTTMAPT

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-2020162725-A1 TARGET PROTEIN EED DEGRADATION-INDUCING DEGRADUCER, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING DISEASES RELATED TO EED, EZH2, OR PRC2, COMPRISING SAME AS ACTIVE INGREDIENT 한국화학연구원 2020-08-13 WO disclosed