SCHEMBL28823317

SCHEMBL28823317

CC(C)(C)N(C(=O)OCC1c2ccccc2-c2ccccc21)C(Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
EPHX2 P34913 1/20 0.39
KMT2A Q03164 2/20 0.38
FABP5 Q01469 3/20 0.38
FABP7 O15540 2/20 0.38
POLB P06746 1/20 0.37
MDM4 O15151 2/20 0.37
MDM2 Q00987 1/20 0.37
TP53 P04637 1/20 0.36
SLC17A5 Q9NRA2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CASP3 P42574 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35

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
SCHEMBL11897146 1.00 PPARG (0.39) PPARGPPARAEPHX2KMT2AFABP5
SCHEMBL29876008 1.00 PPARG (0.39) PPARGPPARAEPHX2KMT2AFABP5
SCHEMBL5577090 0.86 ITGB3 (0.44) PPARGPPARAEPHX2KMT2AFABP5
SCHEMBL29779331 0.86 ITGB3 (0.44) PPARGPPARAEPHX2KMT2AFABP5
SCHEMBL8641226 0.86 CASP3 (0.45) EPHX2KMT2AFABP5FABP7MDM4
SCHEMBL29670872 0.86 EPHX2 (0.42) PPARGPPARAEPHX2KMT2AFABP5
SCHEMBL22804101 0.85 PPARG (0.40) PPARGPPARAEPHX2KMT2AFABP5
SCHEMBL22804060 0.85 PPARG (0.40) PPARGPPARAEPHX2KMT2AFABP5
SCHEMBL15632804 0.85 ITGB3 (0.43) PPARGPPARAEPHX2KMT2AFABP5
SCHEMBL28012104 0.85 ITGB3 (0.43) PPARGPPARAEPHX2KMT2AFABP5

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-114948860-B Supermolecule hydrogel nano material, gel factor, preparation method and application thereof 东南大学 2023-04-28 CN claimed
CN-114948860-A Supermolecule hydrogel nano material, gelator, preparation method and application thereof 东南大学 2022-08-30 CN claimed
CN-114948860-B Supermolecule hydrogel nano material, gel factor, preparation method and application thereof 东南大学 2023-04-28 CN disclosed
CN-114948860-A Supermolecule hydrogel nano material, gelator, preparation method and application thereof 东南大学 2022-08-30 CN disclosed