SCHEMBL28657003

SCHEMBL28657003

CN(OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
ALDH1A1 P00352 4/20 0.50
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 2/20 0.48
RAB9A P51151 2/20 0.48
POLB P06746 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
TP53 P04637 1/20 0.48
ADRB2 P07550 2/20 0.47
ADRB1 P08588 2/20 0.47
ADRB3 P13945 2/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 2/20 0.47
NPC1 O15118 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL28652075 0.84 MAPT (0.50) MAPTALDH1A1CES2CES1MEN1
SCHEMBL30822838 0.84 MAPT (0.62) MAPTALDH1A1CES2CES1MEN1
SCHEMBL4746148 0.84 MAPT (0.62) MAPTALDH1A1CES2CES1MEN1
SCHEMBL27461038 0.79 MAPT (0.52) MAPTALDH1A1CES2CES1MEN1
SCHEMBL14636054 0.78 TDP1 (0.50) MAPTALDH1A1KMT2AADRB2ADRB1
SCHEMBL27384308 0.77 MAPT (0.50) MAPTALDH1A1CES2CES1MEN1
SCHEMBL7654085 0.77 ADRB2 (0.53) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL29868333 0.76 ALDH1A1 (0.49) MAPTALDH1A1CES2CES1MEN1
SCHEMBL3913255 0.76 ALDH1A1 (0.49) MAPTALDH1A1CES2CES1MEN1
SCHEMBL27479603 0.76 ALDH1A1 (0.58) MAPTALDH1A1CES2CES1MEN1

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-113544113-B Synthesis method of candesartan cilexetil intermediate 临海市华南化工有限公司 2023-12-26 CN disclosed
CN-113544113-A Synthesis method of candesartan cilexetil intermediate 临海市华南化工有限公司 2021-10-22 CN disclosed