SCHEMBL23660445

SCHEMBL23660445

O=CCNCC(=O)Nc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
HDAC1 Q13547 5/20 0.51
HDAC3 O15379 4/20 0.51
HDAC4 P56524 4/20 0.51
HDAC7 Q8WUI4 4/20 0.51
HDAC2 Q92769 4/20 0.51
HDAC10 Q969S8 4/20 0.51
HDAC11 Q96DB2 4/20 0.51
HDAC8 Q9BY41 4/20 0.51
HDAC6 Q9UBN7 4/20 0.51
HDAC9 Q9UKV0 4/20 0.51
HDAC5 Q9UQL6 4/20 0.51
MAPT P10636 3/20 0.50
RECQL P46063 1/20 0.50
MAOB P27338 1/20 0.50
HTT P42858 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM1A O60341 1/20 0.49

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
SCHEMBL8520467 0.85 KDM4E (0.59) EPHX2L3MBTL1HDAC1HDAC3HDAC4
SCHEMBL4529276 0.82 CA1 (0.63) EPHX2L3MBTL1HDAC1MAPTRECQL
SCHEMBL14107963 0.81 MAPT (0.58) EPHX2L3MBTL1MAPTRECQLMEN1
SCHEMBL6018151 0.81 EPHX2 (0.53) EPHX2L3MBTL1HDAC1HDAC3HDAC4
SCHEMBL4844265 0.80 MAOB (0.62) EPHX2L3MBTL1HDAC1HDAC3HDAC4
SCHEMBL27852723 0.79 RECQL (0.74) EPHX2MAPTRECQLHTTMEN1
SCHEMBL5913640 0.79 HDAC1 (0.55) EPHX2L3MBTL1HDAC1HDAC3HDAC4
SCHEMBL23178156 0.78 GAA (0.67) EPHX2L3MBTL1HDAC1HDAC3HDAC2
SCHEMBL28961967 0.78 ALDH1A1 (0.51) EPHX2L3MBTL1HDAC1HDAC3HDAC4
SCHEMBL11458040 0.78 L3MBTL1 (0.66) EPHX2L3MBTL1HDAC1HDAC3HDAC4

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
WO-2021143762-A1 NOVEL COMPOUNDS AS INHIBITORS OF PCSK9 SHENGKE PHARMACEUTICALS (JIANGSU) LTD. (CN) 2021-07-22 WO disclosed