SCHEMBL29953365

SCHEMBL29953365

COc1ccc(B(O)O)cc1COC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
QRFPR Q96P65 1/20 0.47
ENPP2 Q13822 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DRD4 P21917 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
RECQL P46063 1/20 0.36
PDE4A P27815 4/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
IDO1 P14902 1/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL29956300 0.96 QRFPR (0.46) QRFPRENPP2MEN1KMT2ADRD4
SCHEMBL29953128 0.86 PDE4D (0.41) QRFPRENPP2PDE4APDE4BPDE4C
SCHEMBL14201717 0.81 MEN1 (0.62) MEN1KMT2AKDM4EGAAHTT
SCHEMBL26108979 0.80 KDM4E (0.36) QRFPRENPP2KDM4EL3MBTL1
SCHEMBL29957139 0.79 SCN9A (0.40) QRFPRKDM4EL3MBTL1
SCHEMBL1024456 0.79 ENPP2 (0.46) ENPP2MEN1KMT2AKDM4EGAA
SCHEMBL29955155 0.78 QRFPR (0.54) QRFPRMEN1KMT2AALDH1A1
SCHEMBL29951099 0.78 DRD4 (0.46) QRFPRMEN1KMT2ADRD4SIGMAR1
SCHEMBL29956506 0.77 ALDH1A1 (0.58) MEN1KMT2AGAAHTTSIGMAR1
SCHEMBL2889886 0.77 PDE4A (0.55) PDE4APDE4BPDE4CPDE4D

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed