SCHEMBL28550403

SCHEMBL28550403

CC(=O)C1=C(O)C(Cc2ccc(F)cc2)NC1=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR0B1 P51843 1/20 0.52
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
MAOB P27338 3/20 0.35
MAOA P21397 1/20 0.35
CACNA1G O43497 2/20 0.35
HPGD P15428 1/20 0.33
PPARG P37231 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL28560757 0.88 NR0B1 (0.54) NR0B1KDM4EGAACACNA1GPPARG
SCHEMBL28620615 0.85 NR0B1 (0.69) NR0B1KDM4EGAA
SCHEMBL10007676 0.73 KDM4E (0.56) NR0B1KDM4E
SCHEMBL4246713 0.73 NR0B1 (0.64) NR0B1GAANPSR1
SCHEMBL4246061 0.72 NR0B1 (0.50) NR0B1CACNA1GPPARG
SCHEMBL28557461 0.71 NR0B1 (0.52) NR0B1KDM4EGAAMEN1KMT2A
SCHEMBL4241297 0.71 NR0B1 (0.46) NR0B1KDM4EGAAMEN1KMT2A
SCHEMBL10007462 0.70 KDM4E (0.53) NR0B1KDM4EHPGD
SCHEMBL31202904 0.69 KDM4E (0.55) NR0B1KDM4EGAAMEN1KMT2A
SCHEMBL21987060 0.69 NR0B1 (0.49) NR0B1KDM4EGAAHPGD

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-112778188-A Preparation method of alternaria tenuifolia keto acid and derivatives thereof 安徽农业大学 2021-05-11 CN disclosed