SCHEMBL31397864

SCHEMBL31397864

CCOc1ccc(C(=O)C(C)C(C(=O)O)C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ PDK1 Q15118 1/20 0.51
▸ POLB P06746 4/20 0.51
▸ ALDH1A1 P00352 7/20 0.50
▸ CTDSP1 Q9GZU7 1/20 0.48
▸ LMNA P02545 4/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ MAPT P10636 8/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ HTT P42858 2/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 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
SCHEMBL31397862 0.86 ALDH1A1 (0.55) SMN1; SMN2PDK1POLBALDH1A1LMNA
SCHEMBL31397887 0.85 PDK1 (0.70) PDK1POLBALDH1A1LMNAMEN1
SCHEMBL31397873 0.84 PDK1 (0.61) GAASMN1; SMN2PDK1POLBALDH1A1
SCHEMBL1402203 0.82 MAPT (0.65) GAASMN1; SMN2POLBALDH1A1CTDSP1
Hydrochloric Acid SCHEMBL11776063 0.80 MAPT (0.64) GAASMN1; SMN2POLBALDH1A1CTDSP1
SCHEMBL2339687 0.79 POLB (0.73) GAASMN1; SMN2POLBALDH1A1CTDSP1
SCHEMBL28517793 0.79 GAA (0.57) GAASMN1; SMN2PDK1POLBALDH1A1
SCHEMBL31397865 0.78 PDK1 (0.47) SMN1; SMN2PDK1ALDH1A1LMNAMAPT
SCHEMBL31397882 0.78 VCAM1 (0.59) SMN1; SMN2PDK1ALDH1A1LMNAMAPT
SCHEMBL31397875 0.78 PDK1 (0.47) GAAPDK1ALDH1A1LMNAMAPT

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-119431326-A Pimobendan Synthesis method of pill 辽宁孚音生物科技有限公司 2025-02-14 — — CN disclosed
CN-119431250-A Pimo-benzol pill intermediate and synthesis method thereof 辽宁孚音生物科技有限公司 2025-02-14 — — CN disclosed
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