SCHEMBL30920073

SCHEMBL30920073

C=CC(=O)Oc1ccc2ccc3c(c2c1)N=CC1(O3)N(C)c2ccc(OC(C)=O)cc2C1(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
KDM4E B2RXH2 4/20 0.61
THRB P10828 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
HTT P42858 3/20 0.61
LMNA P02545 3/20 0.61
GAA P10253 3/20 0.61
ALDH1A1 P00352 2/20 0.61
HPGD P15428 2/20 0.61
ALOX12 P18054 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
POLB P06746 2/20 0.61
RECQL P46063 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
MAPK1 P28482 1/20 0.61
PKM P14618 1/20 0.52
NPSR1 Q6W5P4 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL17434806 1.00 MAPT (0.61) MAPTKDM4ETHRBSMN1; SMN2HTT
SCHEMBL17434808 0.90 MAPT (0.75) MAPTKDM4ETHRBSMN1; SMN2HTT
SCHEMBL20757413 0.87 MAPT (0.79) MAPTKDM4ETHRBSMN1; SMN2HTT
SCHEMBL13104752 0.86 MAPT (0.62) MAPTKDM4ETHRBSMN1; SMN2HTT
SCHEMBL9227100 0.85 KDM4E (0.51) MAPTKDM4ETHRBSMN1; SMN2HTT
SCHEMBL13104780 0.83 MAPT (0.69) MAPTKDM4ETHRBSMN1; SMN2HTT
SCHEMBL4252905 0.82 MAPT (0.73) MAPTKDM4ETHRBSMN1; SMN2HTT
SCHEMBL31094046 0.82 MAPT (0.73) MAPTKDM4ETHRBSMN1; SMN2HTT
SCHEMBL7917137 0.81 MAPT (0.48) MAPTKDM4ETHRBSMN1; SMN2HTT
SCHEMBL12812592 0.81 MAPT (0.74) MAPTKDM4ETHRBSMN1; SMN2HTT

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
EP-3169235-B1 DEVICE FOR MEASURING THE CONCENTRATION OF AN ANALYTE IN THE BLOOD OR TISSUE OF AN ANIMAL OR A HUMAN, PARTICULARLY A PREMATURE INFANT, IN A SELF-CALIBRATING MANNER UNIV ZUERICH (CH) 2024-05-22 EP disclosed