SCHEMBL29048752

SCHEMBL29048752

c1ccc(COc2ccccc2N(OCc2ccccc2)OCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HTR1A P08908 6/20 0.49
DRD2 P14416 1/20 0.49
LIPE Q05469 1/20 0.47
LTA4H P09960 1/20 0.46
MAPK14 Q16539 1/20 0.46
ALPG P10696 1/20 0.45
PTK2B Q14289 1/20 0.45
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CDK4 P11802 1/20 0.44
CCNB1 P14635 1/20 0.44
CCND1 P24385 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
ADRA1D P25100 3/20 0.42
ADRA1A P35348 3/20 0.42
ADRA1B P35368 3/20 0.42

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
SCHEMBL31397637 1.00 MAPT (0.52) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL12774397 0.79 MAPT (0.58) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL339812 0.77 MAPT (0.71) MAPTMAPK1TDP1L3MBTL1HTR1A
Hydrochloric Acid SCHEMBL11729665 0.75 MAPT (0.53) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL26013299 0.71 MAPT (0.63) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL5538708 0.71 MAPT (0.63) MAPTMAPK1TDP1L3MBTL1HTR1A
Formaldehyde SCHEMBL27831678 0.71 MAPT (0.63) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL8216313 0.71 MAPT (0.69) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL6215213 0.70 MAPT (0.67) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL11721119 0.69 MAPT (0.54) MAPTMAPK1TDP1L3MBTL1HTR1A

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
CN-116574054-A Selective estrogen receptor down regulator compound, preparation method and application 南京中医药大学 2023-08-11 CN disclosed