SCHEMBL28808705

SCHEMBL28808705

Cc1cccc(CON(OCc2cccc(C)c2)C(=O)C(N)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.51
MAOB P27338 6/20 0.47
POLB P06746 1/20 0.46
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP12 P39900 1/20 0.43
TAAR1 Q96RJ0 2/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
PARP1 P09874 1/20 0.41
MAOA P21397 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NR3C2 P08235 1/20 0.40
CTBP2 P56545 1/20 0.40

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
SCHEMBL28808693 0.82 CYP3A4 (0.51) IDO1MAOBMMP2MMP9MMP12
SCHEMBL28808708 0.80 PARP10 (0.45) IDO1L3MBTL1
SCHEMBL7656159 0.76 IDO1 (0.59) IDO1MAOBPOLBMMP2MMP9
SCHEMBL13416556 0.75 IDO1 (0.58) IDO1MAOBPOLBMMP2MMP9
SCHEMBL28808706 0.72 IDO1 (0.49) IDO1MAOBPOLBPARP1
SCHEMBL28947455 0.72 MAOB (0.44) MAOBTAAR1THRATHRBCTBP2
SCHEMBL3763603 0.72 IDO1 (0.58) IDO1MAOBPOLBMMP2MMP9
SCHEMBL28808716 0.71 IDO1 (0.46) IDO1MAOBMAOAL3MBTL1
SCHEMBL28808704 0.71 NR4A2 (0.46) L3MBTL1
SCHEMBL10773353 0.70 IDO1 (0.56) IDO1MAOBMMP2MMP9MMP12

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-112079747-B N-benzyloxy substituted symmetrical oxamide compound and preparation method and application thereof 浙江工业大学 2022-08-16 CN disclosed