SCHEMBL7829903

SCHEMBL7829903

CC1(C)O[C@H]2[C@@H]3OC(C)(C)O[C@H]3[C@H](O)[C@@H](O)[C@H]2O1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.35
MGAM O43451 1/20 0.35
CA1 P00915 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
ACHE P22303 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
GBA1 P04062 2/20 0.35
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
SCHEMBL7993074 1.00 CA2 (0.35) CA2MGAMCA1GAASI
SCHEMBL5546534 1.00 CA2 (0.35) CA2MGAMCA1GAASI
SCHEMBL12858416 1.00 CA2 (0.35) CA2MGAMCA1GAASI
SCHEMBL14215490 1.00 CA2 (0.35) CA2MGAMCA1GAASI
SCHEMBL9295329 1.00 CA2 (0.35) CA2MGAMCA1GAASI
SCHEMBL9767712 1.00 CA2 (0.35) CA2MGAMCA1GAASI
SCHEMBL3859689 0.94 GBA1 (0.42) CA2MGAMCA1GAASI
SCHEMBL2951506 0.94 GBA1 (0.42) CA2MGAMCA1GAASI
SCHEMBL17827504 0.90 MGAM (0.36) CA2MGAMCA1GAASI
SCHEMBL3867661 0.90 MGAM (0.36) CA2MGAMCA1GAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5756774-A Synthesis of myo-inositol phosphates ELAN PHARMACEUTICALS, INC. 1998-05-26 US claimed
EP-0975620-A4 NOVEL SYNTHESIS OF MYO-INOSITOL PHOSPHATES UNIV CITY (US) 2001-01-31 EP disclosed
EP-0975620-A1 NOVEL SYNTHESIS OF MYO-INOSITOL PHOSPHATES The Research Foundation of the City University of New York (US) 2000-02-02 EP disclosed
WO-1998033790-A1 NOVEL SYNTHESIS OF MYO-INOSITOL PHOSPHATES THE RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF (US) 1998-08-06 WO disclosed
US-5756774-A Synthesis of myo-inositol phosphates ELAN PHARMACEUTICALS, INC. 1998-05-26 US disclosed