SCHEMBL28456471

SCHEMBL28456471

COC(C)OCOc1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 1/20 0.39
SIGMAR1 Q99720 8/20 0.38
SCN4A P35499 2/20 0.38
PTGS2 P35354 1/20 0.37
APP P05067 1/20 0.37
MAOB P27338 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL9323735 0.81 MAPT (0.41) MEN1ALDH1A1KMT2APTGS2APP
SCHEMBL9146933 0.81 LTA4H (0.44) PTGS2APP
SCHEMBL4185403 0.81 APP (0.44) APP
SCHEMBL4821478 0.78 MAOA (0.33)
SCHEMBL4991354 0.77 ALDH1A3 (0.49) MEN1ALDH1A1KMT2ARAB9AL3MBTL1
SCHEMBL15514159 0.77 CHRNA7 (0.44) ALDH1A1
SCHEMBL3961420 0.77 MAOB (0.36) MEN1KMT2AMAOB
SCHEMBL8904988 0.76 APP (0.40) MEN1ALDH1A1KMT2ARAB9ASIGMAR1
SCHEMBL9267292 0.76 L3MBTL1 (0.54) ALDH1A1RAB9AMAOBL3MBTL1
SCHEMBL29163216 0.76 L3MBTL1 (0.50) ALDH1A1SIGMAR1L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111620764-B Selective ether bond cleavage method of aryl alkyl ether 荆楚理工学院 2023-05-05 CN disclosed
CN-111620764-A Selective ether bond breaking method of aryl alkyl ether 荆楚理工学院 2020-09-04 CN disclosed