Sugi Predict

Sugi Predict / Compounds / SCHEMBL8334423

SCHEMBL8334423

SCHEMBL8334423

CC1(C)O[C@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@H]1[C@@H]1OC(C)(C)O[C@@H]12

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 4/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ GLB1 P16278 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
SCHEMBL7154844 1.00 CA2 (0.33) CA2CA1CA9GLB1
SCHEMBL13238267 0.86 — —
SCHEMBL9295329 0.83 CA2 (0.35) CA2CA1GLB1
SCHEMBL14215490 0.83 CA2 (0.35) CA2CA1GLB1
SCHEMBL5546534 0.83 CA2 (0.35) CA2CA1GLB1
SCHEMBL9767712 0.83 CA2 (0.35) CA2CA1GLB1
SCHEMBL7829903 0.83 CA2 (0.35) CA2CA1GLB1
SCHEMBL12409521 0.81 — —
SCHEMBL12409520 0.81 — —
SCHEMBL3867661 0.78 MGAM (0.36) CA2CA1GLB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0753016-A4 IMMUNOASSAY FOR INOSITOLS UNIV VIRGINIA (US) 1999-11-10 — — EP disclosed
EP-0753016-A1 IMMUNOASSAY FOR INOSITOLS THE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 1997-01-15 — — EP disclosed
US-5525526-A Immunoassay for inositols THE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 1996-06-11 — — US disclosed
WO-1995021196-A1 IMMUNOASSAY FOR INOSITOLS UNIVERSITY OF VIRGINIA PATENTS FOUNDATION (US) 1995-08-10 — — WO disclosed