SCHEMBL29280609

SCHEMBL29280609

COC(=O)C(C)(O)c1ccccc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
SRC P12931 1/20 0.44
KCNN4 O15554 1/20 0.44
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
RIPK1 Q13546 1/20 0.41
PLCG1 P19174 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ELANE P08246 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA5A P35218 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL31612952 1.00 NPSR1 (0.45) NPSR1SRCKCNN4PDK1PDK2
SCHEMBL548019 0.85 PLCG1 (0.49) NPSR1SRCKCNN4PDK1PDK2
SCHEMBL28739284 0.81 TSHR (0.50) NPSR1SRCKCNN4PLCG1KMT2A
SCHEMBL31612951 0.80 LMNA (0.47) NPSR1SRCKCNN4PDK1PDK2
SCHEMBL31612947 0.80 NPSR1 (0.44) NPSR1SRCKCNN4PDK1PDK2
SCHEMBL31612950 0.80 LMNA (0.47) NPSR1SRCKCNN4PDK1PDK2
SCHEMBL9129412 0.80 SRC (0.43) NPSR1SRCKCNN4PLCG1KMT2A
SCHEMBL29280633 0.80 KCNN4 (0.51) NPSR1SRCKCNN4KMT2AMEN1
SCHEMBL1828511 0.79 PDK1 (0.41) PDK1PDK2PDK3PDK4RIPK1
SCHEMBL10412004 0.77 ALDH1A1 (0.44) NPSR1SRCKCNN4KMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120118863-A Cytochrome P450 monooxygenase and application thereof 遵义医科大学 2025-06-10 CN disclosed
CN-117777172-A Benzo five-membered ring boric acid ester-3-carboxylic acid compound and application thereof 四川大学 2024-03-29 CN disclosed