SCHEMBL29952722

SCHEMBL29952722

Cc1ccc(OCc2ccccc2)c(B(O)O)c1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.54
MRGPRX4 Q96LA9 5/20 0.49
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 1/20 0.46
KDM1A O60341 2/20 0.44
FFAR4 Q5NUL3 2/20 0.44
PTPN1 P18031 1/20 0.44
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
ENPP2 Q13822 1/20 0.40

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
SCHEMBL29957681 0.85 LIPE (0.53) LIPEMRGPRX4MAPTTDP1L3MBTL1
SCHEMBL30971046 0.82 MAPT (0.57) LIPEMRGPRX4MAPTTDP1L3MBTL1
SCHEMBL18133317 0.81 MAPT (0.55) LIPEMRGPRX4MAPTTDP1L3MBTL1
SCHEMBL31089082 0.80 LIPE (0.63) LIPEMAPTTDP1L3MBTL1MAPK1
SCHEMBL257953 0.79 LIPE (0.53) LIPEMRGPRX4MAPTTDP1L3MBTL1
SCHEMBL18190569 0.77 LIPE (0.58) LIPEMRGPRX4MAPTTDP1L3MBTL1
SCHEMBL29634807 0.77 LIPE (0.58) LIPEMRGPRX4MAPTTDP1L3MBTL1
SCHEMBL2560139 0.77 LIPE (0.63) LIPEMRGPRX4MAPTTDP1L3MBTL1
SCHEMBL18495767 0.75 LIPE (0.53) LIPEMRGPRX4MAPTTDP1L3MBTL1
SCHEMBL31089077 0.75 LIPE (0.55) LIPEMRGPRX4MAPTTDP1L3MBTL1

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