SCHEMBL27166286

SCHEMBL27166286

CCOCCOCCOc1ccc(CC(CO)OC(N)=O)nc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
ACACB O00763 1/20 0.36
THRA P10827 1/20 0.36
KDM4E B2RXH2 3/20 0.35
NCF1 P14598 2/20 0.35
PSMB5 P28074 1/20 0.34
PARP10 Q53GL7 1/20 0.33
EPHX2 P34913 1/20 0.33
MMP3 P08254 1/20 0.33
RARB P10826 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL27166331 0.81 NCF1 (0.39) PPARGPPARAACACBTHRAKDM4E
SCHEMBL27166261 0.81 NCF1 (0.39) PPARGPPARAACACBTHRAKDM4E
Hydrochloric Acid SCHEMBL27166328 0.80 NCF1 (0.39) PPARGPPARAACACBTHRAKDM4E
Hydrochloric Acid SCHEMBL27166252 0.80 NCF1 (0.39) PPARGPPARAACACBTHRAKDM4E
SCHEMBL27166227 0.77 PPARG (0.43) PPARGPPARAACACBTHRAKDM4E
SCHEMBL27166318 0.77 PPARG (0.43) PPARGPPARAACACBTHRAKDM4E
SCHEMBL30458225 0.75 KDM4E (0.36) KDM4EPARP10RARBMAPT
SCHEMBL9446753 0.75 NCF1 (0.43) PPARGPPARAACACBNCF1
SCHEMBL11384767 0.74 NCF1 (0.43) PPARGPPARAACACBTHRAKDM4E
SCHEMBL30804771 0.73 ITGB3 (0.38) PPARGPPARAACACBTHRAMEN1

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
EP-4335840-A1 NEW CONTRAST AGENTS FOR USE IN DIAGNOSTIC IMAGING Bayer Aktiengesellschaft (DE) 2024-03-13 EP disclosed