SCHEMBL29276367

SCHEMBL29276367

COc1cc(C(CC(N)=O)C(N)=O)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.43
TNF P01375 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
MAPT P10636 2/20 0.41
TSHR P16473 2/20 0.41
APOBEC3A P31941 1/20 0.41
HTT P42858 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK10 P53779 1/20 0.40
PDK1 Q15118 1/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39

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
SCHEMBL2404190 0.84 TNF (0.54) L3MBTL1TNFPDE4APDE4BPDE4C
SCHEMBL7478153 0.79 L3MBTL1 (0.43) L3MBTL1MAPK1TNFPDE4APDE4B
SCHEMBL2403865 0.79 TDP1 (0.42) L3MBTL1MAPK1
SCHEMBL8803376 0.79 AOC3 (0.41) L3MBTL1MAPK1MAPTTSHRAPOBEC3A
Hydrochloric Acid SCHEMBL8803116 0.78 AOC3 (0.40) L3MBTL1MAPK1MAPTTSHRAPOBEC3A
SCHEMBL8803596 0.77 CYP2D6 (0.47) L3MBTL1MAPK1TSHRHTTPOLB
SCHEMBL2930054 0.76 MAPT (0.49) L3MBTL1MAPK1MAPTTSHRAPOBEC3A
SCHEMBL8545816 0.76 KMT2A (0.46) L3MBTL1TSHRHTTPOLBCACNA2D1
Hydrochloric Acid SCHEMBL8804774 0.76 KMT2A (0.48) L3MBTL1MAPK1TSHRHTTPOLB
SCHEMBL8812152 0.75 CA1 (0.45) L3MBTL1TSHRPDK1TUBB4ATUBB

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-118307496-A Butanediamide antitumor compound and preparation method and application thereof 江苏海洋大学 2024-07-09 CN disclosed