SCHEMBL28680418

SCHEMBL28680418

CC(C)(C)OC(=O)COCCCCCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
KCNH2 Q12809 2/20 0.46
PTGS2 P35354 1/20 0.46
LSS P48449 2/20 0.46
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL18282354 0.96 MAPT (0.49) MAPTL3MBTL1CRHBPCRHR2ALDH1A1
SCHEMBL21348716 0.91 MAPT (0.52) MAPTL3MBTL1CRHBPCRHR2ALDH1A1
SCHEMBL18530427 0.91 MAPT (0.52) MAPTL3MBTL1CRHBPCRHR2ALDH1A1
SCHEMBL655716 0.85 PTGS2 (0.60) MAPTALDH1A1CYP1A2CYP3A4KMT2A
SCHEMBL27238605 0.83 HTR2A (0.46) MAPTL3MBTL1CRHBPCRHR2ALDH1A1
SCHEMBL28675412 0.82 PLA2G4B (0.46) L3MBTL1
SCHEMBL18282348 0.80 MAPT (0.56) MAPTL3MBTL1CRHBPCRHR2ALDH1A1
SCHEMBL28757163 0.80 PTGS2 (0.54) MAPTALDH1A1CYP1A2CYP3A4KMT2A
SCHEMBL25718431 0.79 KCNH2 (0.54) MAPTL3MBTL1CRHBPCRHR2HRH3
SCHEMBL17940966 0.79 MAPT (0.57) MAPTL3MBTL1KMT2AMEN1TDP1

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-113735845-A Androgen receptor degradation agent and application thereof 梅德盛 2021-12-03 CN disclosed