SCHEMBL29009658

SCHEMBL29009658

C=CCN(C(=O)OC(C)(C)C)c1ccccc1I

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 1/20 0.38
GSTO1 P78417 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
HIF1A Q16665 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
AKT1 P31749 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
C5AR1 P21730 1/20 0.33
RAB9A P51151 2/20 0.31
ALOX5 P09917 1/20 0.31
HDAC3 O15379 1/20 0.31

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
SCHEMBL28038900 0.85 CYP3A4 (0.43) L3MBTL1TSHRGSTO1NPSR1ALDH1A1
SCHEMBL14587285 0.84 KDM4E (0.33) L3MBTL1GSTO1KDM4EALDH1A1AKT1
SCHEMBL23217979 0.84 ALDH1A1 (0.40) L3MBTL1TSHRGSTO1NPSR1MAPT
SCHEMBL6207086 0.82 L3MBTL1 (0.33) L3MBTL1TSHRGSTO1NPSR1MAPT
SCHEMBL6205322 0.81 TSHR (0.34) L3MBTL1TSHRGSTO1
SCHEMBL20297003 0.81 L3MBTL1 (0.35) L3MBTL1TSHRGSTO1NPSR1MAPT
SCHEMBL29837260 0.81 HDAC3 (0.36) L3MBTL1ALDH1A1MEN1KMT2AAKT1
SCHEMBL28859253 0.81 L3MBTL1 (0.36) L3MBTL1TSHRGSTO1NPSR1MAPT
SCHEMBL28360698 0.80 TSHR (0.40) L3MBTL1TSHRKDM4EALDH1A1GAA
SCHEMBL30758070 0.80 AKT1 (0.47) L3MBTL1AKT1HDAC3HDAC1HDAC2

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-115010564-B Preparation method of o-iodophenyl compound 苏州大学 2024-03-19 CN disclosed
CN-115010564-A Preparation method of o-iodophenyl compound 苏州大学 2022-09-06 CN disclosed