SCHEMBL29951691

SCHEMBL29951691

C=CCOc1ccc(C)cc1B(O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
TSHR P16473 2/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
MAPT P10636 1/20 0.39
PDE4B Q07343 2/20 0.39
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
LMNA P02545 1/20 0.37
MAPK1 P28482 2/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP2D6 P10635 2/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL2558403 0.82 AKR1C3 (0.37) KDM4ETSHRGAAMEN1KMT2A
SCHEMBL2558400 0.82 AKR1C3 (0.37) KDM4ETSHRGAAMEN1KMT2A
SCHEMBL29954348 0.82 MTNR1A (0.45) KDM4EALDH1A1HPGDPDE4BADRA2A
SCHEMBL29957552 0.82 MAPT (0.47) KDM4ETSHRGAAMEN1KMT2A
SCHEMBL22215851 0.80 KDM4E (0.46) KDM4ETSHRGAAMEN1KMT2A
SCHEMBL1490739 0.79 MAPT (0.45) KDM4ETSHRGAAMEN1KMT2A
SCHEMBL29956763 0.79 MAPT (0.45) KDM4ETSHRGAAMEN1KMT2A
SCHEMBL8161827 0.79 SMN1; SMN2 (0.45) KDM4ETSHRGAAMEN1KMT2A
SCHEMBL15329658 0.78 KMT2A (0.40) KDM4ETSHRGAAMEN1KMT2A
SCHEMBL28821754 0.77 LIPE (0.56) KDM4ETSHRALDH1A1HPGDMAPT

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