SCHEMBL31279781

SCHEMBL31279781

CCOC(=O)[C@H](CC(C)C)NP(=O)(OCCSC(=O)C(C)(C)C)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ BCHE P06276 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ MAPT P10636 7/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALDH1A1 P00352 6/20 0.36
▸ CYP3A4 P08684 4/20 0.36
▸ TSHR P16473 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ GAA P10253 2/20 0.35
▸ ADAM17 P78536 2/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ CYP1A2 P05177 2/20 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
SCHEMBL18263734 0.91 CA1 (0.36) CA1CA2BCHEACHEMAPT
SCHEMBL20213235 0.91 CA1 (0.36) CA1CA2BCHEACHEMAPT
SCHEMBL30511486 0.84 BTN3A1 (0.41) CA1CA2BCHEACHEMAPT
SCHEMBL17198685 0.83 CA1 (0.38) CA1CA2BCHEACHEMAPT
SCHEMBL23391326 0.83 CA1 (0.39) CA1CA2BCHEACHEMAPT
SCHEMBL23391186 0.83 CA1 (0.39) CA1CA2BCHEACHEMAPT
SCHEMBL30770567 0.82 BTN3A1 (0.42) CA1CA2BCHEACHEMAPT
SCHEMBL18266885 0.82 CA1 (0.45) CA1CA2BCHEACHEMAPT
SCHEMBL17198688 0.79 CA1 (0.48) CA1CA2BCHEACHEMAPT
SCHEMBL16708511 0.76 CA1 (0.56) CA1CA2BCHEACHEMAPT

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
EP-3303359-B1 NUCLEOTIDES FOR THE TREATMENT OF CANCER IDENIX PHARMACEUTICALS LLC (US) 2024-11-06 — — EP disclosed
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