SCHEMBL22609455

SCHEMBL22609455

OCCOCCCCO[C@H]1CCCCO1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4C Q9H3R0 1/20 0.39
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PDK1 Q15118 1/20 0.33
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.30

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
SCHEMBL21069309 1.00 MEN1 (0.49) MEN1KMT2AKDM4CTHRBHTT
SCHEMBL24574135 0.98 MEN1 (0.48) MEN1KMT2AKDM4CTHRBHTT
SCHEMBL22787022 0.97 MEN1 (0.50) MEN1KMT2AKDM4CTHRBHTT
SCHEMBL24574176 0.97 MEN1 (0.47) MEN1KMT2AKDM4CTHRBHTT
SCHEMBL24574137 0.97 MEN1 (0.47) MEN1KMT2AKDM4CTHRBHTT
SCHEMBL27269433 0.97 MEN1 (0.50) MEN1KMT2AKDM4CTHRBHTT
SCHEMBL22070790 0.93 KMT2A (0.49) MEN1KMT2AKDM4CTSHRL3MBTL1
SCHEMBL20128999 0.93 KMT2A (0.49) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL578640 0.93 MEN1 (0.43) MEN1KMT2AKDM4CTHRBHTT
SCHEMBL12286917 0.93 MEN1 (0.43) MEN1KMT2AKDM4CTHRBHTT

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-3731869-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2020-11-04 EP disclosed