SCHEMBL29957299

SCHEMBL29957299

COc1cccc(COc2ccccc2B(O)O)c1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.68
LIPE Q05469 1/20 0.67
ABCB1 P08183 8/20 0.62
HTR1A P08908 3/20 0.62
DRD2 P14416 2/20 0.62
ADRA1D P25100 1/20 0.54
ADRA1A P35348 1/20 0.54
ADRA1B P35368 1/20 0.54
MAOB P27338 4/20 0.54
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
IDO1 P14902 1/20 0.51
AGXT P21549 1/20 0.51

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
SCHEMBL10183792 0.88 LIPE (0.66) ENPP2LIPEABCB1HTR1ADRD2
SCHEMBL2555868 0.83 LIPE (0.73) ENPP2LIPEABCB1HTR1AADRA1D
SCHEMBL29955786 0.82 ENPP2 (0.71) ENPP2LIPEHTR1AADRA1DADRA1A
SCHEMBL30631550 0.82 ENPP2 (0.71) ENPP2LIPEMAOBMAPTIDO1
SCHEMBL2558783 0.82 ENPP2 (0.71) ENPP2LIPEMAOBMAPTIDO1
SCHEMBL18587046 0.82 ENPP2 (0.71) ENPP2LIPEHTR1AADRA1DADRA1A
SCHEMBL132403 0.81 LIPE (1.00) ENPP2LIPEHTR1ADRD2ADRA1D
SCHEMBL29591898 0.81 LIPE (1.00) ENPP2LIPEHTR1ADRD2ADRA1D
SCHEMBL29954212 0.81 LIPE (0.64) ENPP2LIPEABCB1HTR1ADRD2
SCHEMBL1954388 0.81 LIPE (0.64) ENPP2LIPEABCB1HTR1ADRD2

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