SCHEMBL30918591

SCHEMBL30918591

COC(=O)[C@](CCCCNC(=O)OC(C)(C)C)(NCCO)C(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
CA12 O43570 6/20 0.42
CA1 P00915 6/20 0.42
CA2 P00918 6/20 0.42
CA9 Q16790 6/20 0.42
DGAT1 O75907 1/20 0.36
DRD2 P14416 3/20 0.35
PTPRB P23467 1/20 0.35
EPHX1 P07099 1/20 0.34
HTT P42858 1/20 0.34
STK17B O94768 1/20 0.34
STK17A Q9UEE5 1/20 0.34

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
SCHEMBL7719979 0.78 TDP1 (0.48) TDP1MAOAMAOBMEN1GAA
SCHEMBL19983017 0.77 TDP1 (0.60) TDP1MAOAMAOBMEN1GAA
SCHEMBL16731997 0.77 TDP1 (0.53) TDP1MAOAMAOBMEN1GAA
SCHEMBL360927 0.75 TDP1 (0.96) TDP1MAOAMAOBMEN1GAA
SCHEMBL27507716 0.75 TDP1 (0.57) TDP1MAOAMAOBMEN1GAA
SCHEMBL6591664 0.75 TDP1 (0.57) TDP1MAOAMAOBMEN1GAA
SCHEMBL8630894 0.75 TDP1 (0.61) TDP1MAOAMAOBMEN1GAA
SCHEMBL3020258 0.74 TDP1 (0.81) TDP1MAOAMAOBMEN1GAA
SCHEMBL7908254 0.73 TDP1 (1.00) TDP1MAOAMAOBMEN1GAA
SCHEMBL2819924 0.73 TDP1 (1.00) TDP1MAOAMAOBMEN1GAA

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-118079011-A Lytic cell penetrating complexes for delivery of nucleic acids to the lung 利兰斯坦福初级大学董事会 2024-05-28 CN disclosed