SCHEMBL29837136

SCHEMBL29837136

CC(C)(C)OC(=O)N(Cc1ccc(C(C)(C)C)cc1)c1ccccc1I

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.43
PTGES O14684 2/20 0.42
ALOX5 P09917 2/20 0.42
MEN1 O00255 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
AKT1 P31749 2/20 0.38
SIGMAR1 Q99720 2/20 0.37
NR1I2 O75469 1/20 0.37
LMNA P02545 1/20 0.37
ADRA2A P08913 1/20 0.37
CYP2D6 P10635 1/20 0.37
ACHE P22303 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL29837164 0.90 MEN1 (0.41) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL30758070 0.90 AKT1 (0.47) HDAC3HDAC1HDAC2NCOR2AKT1
SCHEMBL12545455 0.88 LMNA (0.39) RAB9AHDAC3HDAC1HDAC2NCOR2
SCHEMBL29837172 0.88 LMNA (0.39) RAB9AHDAC3HDAC1HDAC2NCOR2
SCHEMBL29837089 0.88 LMNA (0.44) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL29837162 0.88 MEN1 (0.44) MEN1RAB9AKMT2AHDAC3HDAC1
SCHEMBL29837079 0.79 MEN1 (0.37) MEN1RAB9AKMT2AAKT1LMNA
SCHEMBL29837260 0.78 HDAC3 (0.36) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL29837189 0.77 L3MBTL1 (0.41) ALOX5MEN1RAB9AKMT2AHDAC3
SCHEMBL29837221 0.77 RIPK1 (0.42) ALOX5MEN1KMT2ALMNA

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 3 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
WO-2024011415-A1 METHOD FOR PREPARING O-IODOPHENYL COMPOUND 苏州大学 2024-01-18 WO disclosed
CN-115010564-A Preparation method of o-iodophenyl compound 苏州大学 2022-09-06 CN disclosed