SCHEMBL28548567

SCHEMBL28548567

C=NOC(Cc1ccccc1)C(C)=O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 2/20 0.49
PPARG P37231 15/20 0.47
PPARA Q07869 13/20 0.47
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
CYP1A2 P05177 1/20 0.43

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
SCHEMBL16870268 0.84 ALDH1A1 (0.49) SRRPPARGPPARA
SCHEMBL28545073 0.84 PPARG (0.43) PPARGPPARA
SCHEMBL28209740 0.79 SRR (0.55) SRRPPARGPPARAALPIPKM
SCHEMBL8091095 0.79 SRR (0.58) SRRPPARGPPARAALPIPKM
SCHEMBL12141661 0.79 SRR (0.58) SRRPPARGPPARAALPIPKM
SCHEMBL2053 0.77 SRR (0.53) SRRPPARGPPARAALPIPKM
SCHEMBL15246753 0.76 PPARA (0.56) SRRPPARGPPARA
SCHEMBL6813565 0.76 PSMB5 (0.53) SRRPPARGPPARAALPIPKM
SCHEMBL28793704 0.75 SRR (0.50) SRRPPARGPPARAALPIPKM
SCHEMBL28194037 0.75 SRR (0.50) SRRPPARGPPARAALPIPKM

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
CN-112645835-A Preparation method of benzyloxyamine hydrochloride 宁波四明化工有限公司 2021-04-13 CN disclosed