SCHEMBL9442995

SCHEMBL9442995

COc1ccc(C(=O)c2ccccc2)c(N)c1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
KDM4E B2RXH2 2/20 0.60
HSD17B10 Q99714 2/20 0.60
MAPK1 P28482 2/20 0.60
ALOX15 P16050 1/20 0.60
LMNA P02545 4/20 0.56
HTT P42858 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HPGD P15428 4/20 0.51
CYP3A4 P08684 1/20 0.51
RECQL P46063 1/20 0.51
TDP1 Q9NUW8 1/20 0.49
MAPK14 Q16539 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 2/20 0.48
ALDH1A1 P00352 1/20 0.48
PGR P06401 1/20 0.48

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
SCHEMBL28398483 0.87 MAPT (0.64) MAPTKDM4EHSD17B10MAPK1ALOX15
SCHEMBL30023422 0.85 MAPT (0.66) MAPTKDM4EHSD17B10MAPK1ALOX15
SCHEMBL2446110 0.85 MAPT (0.66) MAPTKDM4EHSD17B10MAPK1ALOX15
SCHEMBL28401771 0.84 MAPT (0.64) MAPTKDM4EHSD17B10MAPK1ALOX15
SCHEMBL15628245 0.83 MAPT (0.48) MAPTKDM4EHSD17B10MAPK1ALOX15
SCHEMBL15621175 0.83 MAPT (0.59) MAPTKDM4EHSD17B10MAPK1ALOX15
SCHEMBL6444260 0.83 MAPT (0.77) MAPTKDM4EHSD17B10MAPK1ALOX15
SCHEMBL7947089 0.83 MAPT (0.62) MAPTKDM4EHSD17B10MAPK1ALOX15
SCHEMBL700669 0.82 MAPT (0.66) MAPTKDM4EMAPK1LMNAHTT
SCHEMBL27978300 0.81 MAPT (0.60) MAPTKDM4EHSD17B10MAPK1ALOX15

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-5223513-A Anticholesterol agent TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-06-29 US disclosed