SCHEMBL30595271

SCHEMBL30595271

C=C(NC(=O)CCc1ccc(C)cc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
GAA P10253 2/20 0.50
PLAAT3 P53816 1/20 0.49
PLAAT5 Q96KN8 1/20 0.49
PLAAT2 Q9NWW9 1/20 0.49
PLAAT4 Q9UL19 1/20 0.49
FFAR1 O14842 1/20 0.48
HDAC1 Q13547 3/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ALDH1A1 P00352 4/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46

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
SCHEMBL28900412 0.78 CES2 (0.50) L3MBTL1MEN1KMT2AGAARAB9A
SCHEMBL9121060 0.76 L3MBTL1 (0.62) TDP1L3MBTL1MEN1KMT2APLAAT3
SCHEMBL13389060 0.75 MAPT (0.77) MEN1KMT2AGAAHDAC1RAB9A
SCHEMBL28466752 0.75 ALDH1A1 (0.55) TDP1MEN1KMT2AGAAALDH1A1
SCHEMBL28463608 0.74 CCR6 (0.59) TDP1L3MBTL1MEN1KMT2AGAA
SCHEMBL14507607 0.74 HDAC2 (0.59) TDP1GAAHDAC1HDAC2HDAC8
SCHEMBL28452344 0.74 ALDH1A1 (0.50) TDP1L3MBTL1MEN1KMT2AGAA
SCHEMBL25046063 0.74 ALDH1A1 (0.71) L3MBTL1MEN1KMT2AGAAPLAAT3
SCHEMBL15679869 0.74 PLAAT3 (0.73) TDP1L3MBTL1KMT2APLAAT3PLAAT5
SCHEMBL29171580 0.74 ALDH1A1 (0.71) L3MBTL1MEN1KMT2AGAAPLAAT3

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-116813494-A E-type beta-methyl enamide compound and preparation method thereof 赣南师范大学 2023-09-29 CN disclosed