SCHEMBL28755282

SCHEMBL28755282

CCCCCC(O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.51
MAPT P10636 4/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
BCL9 O00512 1/20 0.49
CTNNB1 P35222 1/20 0.49
ALDH1A1 P00352 3/20 0.48
GAA P10253 2/20 0.44
HTR2A P28223 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
PTGS2 P35354 1/20 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
SCHEMBL8658376 0.92 MGLL (0.45) MGLLMAPTCRHBPCRHR2L3MBTL1
SCHEMBL11880151 0.85 GAA (0.47) MGLLMAPTCRHBPCRHR2L3MBTL1
SCHEMBL10598448 0.84 MGLL (0.52) MGLLMAPTCRHBPCRHR2L3MBTL1
SCHEMBL30579722 0.83 BCL9 (0.51) MGLLMAPTCRHBPCRHR2L3MBTL1
SCHEMBL18973357 0.82 MGLL (0.48) MGLLMAPTCRHBPCRHR2L3MBTL1
SCHEMBL9636015 0.81 MGLL (0.50) MGLLMAPTCRHBPCRHR2L3MBTL1
SCHEMBL2495349 0.81 MGLL (0.50) MGLLMAPTCRHBPCRHR2L3MBTL1
SCHEMBL93218 0.81 CTRC (0.56) MGLLMAPTCRHBPCRHR2L3MBTL1
SCHEMBL4832122 0.81 CTRC (0.56) MGLLMAPTCRHBPCRHR2L3MBTL1
SCHEMBL7255831 0.81 CTRC (0.56) MGLLMAPTCRHBPCRHR2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110343202-B Preparation method of photo-repairable azobenzene polymer 常州大学 2021-03-23 CN claimed
CN-110343079-B Preparation method and application of azobenzene monomer capable of Diels-Alder addition reaction 常州大学 2022-05-17 CN disclosed
CN-110317293-B Preparation method of recyclable reprocessed thermosetting azobenzene polymer 常州大学 2021-03-23 CN disclosed
CN-110343202-B Preparation method of photo-repairable azobenzene polymer 常州大学 2021-03-23 CN disclosed