SCHEMBL29955819

SCHEMBL29955819

OB(O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.65
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPK1 P28482 1/20 0.47
ENPP2 Q13822 1/20 0.47
PTPN1 P18031 1/20 0.44
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BRD4 O60885 1/20 0.42
ALPG P10696 1/20 0.41
PTK2B Q14289 1/20 0.41
HTR1A P08908 2/20 0.41
FFAR4 Q5NUL3 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
DRD2 P14416 1/20 0.41
LMNA P02545 2/20 0.41

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
SCHEMBL5833209 0.81 LIPE (0.67) LIPEMAPTTDP1L3MBTL1MAPK1
SCHEMBL6586809 0.81 LIPE (0.71) LIPEMAPTTDP1L3MBTL1MAPK1
SCHEMBL132403 0.79 LIPE (1.00) LIPEMAPTTDP1L3MBTL1MAPK1
SCHEMBL29591898 0.79 LIPE (1.00) LIPEMAPTTDP1L3MBTL1MAPK1
SCHEMBL2560139 0.79 LIPE (0.63) LIPEMAPTTDP1L3MBTL1MAPK1
SCHEMBL29954831 0.78 LIPE (0.62) LIPEMAPTTDP1L3MBTL1MAPK1
SCHEMBL31266006 0.78 LIPE (0.53) LIPEENPP2CYP2C19BRD4HTR1A
SCHEMBL3413503 0.78 LIPE (0.66) LIPEL3MBTL1ENPP2HTR1AADRA1D
SCHEMBL1952637 0.77 HTR1A (0.51) LIPEMAPTTDP1L3MBTL1MAPK1
SCHEMBL23272706 0.77 LIPE (0.60) LIPEMAPTTDP1L3MBTL1MAPK1

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