SCHEMBL7571242

SCHEMBL7571242

CC1(C)OC[C@H]2OC(OCC[Si](C)(C)C)[C@H](NC(=O)OCC(Cl)(Cl)Cl)[C@@H](O)[C@@H]2O1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31

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
SCHEMBL4160816 1.00 ALDH1A1 (0.32) ALDH1A1POLBCA1CA2
SCHEMBL4162965 1.00 ALDH1A1 (0.32) ALDH1A1POLBCA1CA2
SCHEMBL7090122 0.86 — —
SCHEMBL9786210 0.85 ALDH1A1 (0.32) ALDH1A1POLBCA1CA2
SCHEMBL9625028 0.83 ALDH1A1 (0.37) ALDH1A1POLBCA1CA2
SCHEMBL2002567 0.79 HCRTR2 (0.32) ALDH1A1POLB
SCHEMBL12568779 0.79 HCRTR2 (0.32) ALDH1A1POLB
SCHEMBL14330425 0.77 YWHAZ (0.36) CA1CA2
SCHEMBL14330424 0.75 YWHAZ (0.35) CA1CA2
SCHEMBL16135488 0.74 MAPK1 (0.39) ALDH1A1CA1CA2

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
EP-1230250-A2 AMINOALKYL GLUCOSAMINIDE PHOSPHATE COMPOUNDS AND THEIR USE AS ADJUVANTS AND IMMUNOEFFECTORS CORIXA CORPORATION (US) 2002-08-14 — — EP disclosed
WO-2001034617-A2 AMINOALKYL GLUCOSAMINIDE PHOSPHATE COMPOUNDS AND THEIR USE AS ADJUVANTS AND IMMUNOEFFECTORS CORIXA CORPORATION (US) 2001-05-17 — — WO disclosed
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