SCHEMBL9699781

SCHEMBL9699781

CC1(C)O[C@@H]([C@@H]2COC(C)(C)O2)[C@H](C=O)O1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.43
CA1 P00915 6/20 0.43
CA9 Q16790 3/20 0.43
CA12 O43570 2/20 0.36
CA4 P22748 2/20 0.36
CA5A P35218 2/20 0.36
CA7 P43166 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
CA6 P23280 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
ELANE P08246 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
SCHEMBL7151477 1.00 CA2 (0.43) CA2CA1CA9CA12CA4
SCHEMBL17521861 1.00 CA2 (0.43) CA2CA1CA9CA12CA4
SCHEMBL17823075 1.00 CA2 (0.43) CA2CA1CA9CA12CA4
SCHEMBL9699787 1.00 CA2 (0.43) CA2CA1CA9CA12CA4
SCHEMBL18287183 0.83 CA2 (0.31) CA2CA1CA9
SCHEMBL18893082 0.82 CA2 (0.40) CA2CA1CA9CA12CA4
SCHEMBL9205364 0.82 CA2 (0.40) CA2CA1CA9CA12CA4
SCHEMBL19130164 0.81 CA1 (0.36) CA2CA1CA9CA12CA4
SCHEMBL13491308 0.81 CA1 (0.36) CA2CA1CA9CA12CA4
SCHEMBL14071535 0.81 CA1 (0.36) CA2CA1CA9CA12CA4

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-0506935-A1 NOVEL RIBONUCLEOSIDE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND DRUGS CONTAINING SAID COMPOUNDS PASTEUR MERIEUX SERUMS ET VACCINS, Société Anonyme : (FR) 1992-10-07 EP disclosed
WO-1992006993-A1 NOVEL RIBONUCLEOSIDE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND DRUGS CONTAINING SAID COMPOUNDS PASTEUR MERIEUX SERUMS ET VACCINS (FR) 1992-04-30 WO disclosed