SCHEMBL9298111

SCHEMBL9298111

CC1(C)O[C@@H]2[C@H](O1)[C@@H](OCCCO)O[C@@H]2[C@H]1COC(C)(C)O1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 5/20 0.38
▸ CA2 P00918 5/20 0.38
▸ CA9 Q16790 3/20 0.38
▸ CA12 O43570 2/20 0.32
▸ CA4 P22748 2/20 0.32
▸ CA5A P35218 2/20 0.32
▸ CA7 P43166 2/20 0.32
▸ CA14 Q9ULX7 2/20 0.32
▸ CA5B Q9Y2D0 2/20 0.32
▸ CA6 P23280 1/20 0.32
▸ CA13 Q8N1Q1 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ THPO P40225 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
SCHEMBL4996530 0.84 CA1 (0.40) CA1CA2CA9CA12CA4
SCHEMBL4167404 0.84 CA1 (0.40) CA1CA2CA9CA12CA4
SCHEMBL9297276 0.82 CA1 (0.35) CA1CA2CA9
SCHEMBL9298888 0.81 CA1 (0.34) CA1CA2CA9
SCHEMBL9298281 0.80 PTAFR (0.38) CA1CA2CA9
SCHEMBL10076011 0.80 CA1 (0.56) CA1CA2CA9CA12CA4
SCHEMBL15892310 0.78 CA2 (0.34) CA1CA2CA9LMNACYP1A2
SCHEMBL4163722 0.78 CA1 (0.36) CA1CA2CA9CA12CA4
SCHEMBL9299464 0.77 CA1 (0.39) CA1CA2CA9CA12CA4
SCHEMBL7145333 0.77 CA2 (0.45) CA1CA2CA9CA12CA4

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
US-5360794-A Disubstituted and deoxy disubstituted derivatives of α-D-mannofuranosides and β-L-gulofuranosides having anti-inflammatory and anti-proliferative activity MEDICARB INC. (US) 1994-11-01 — — US disclosed
WO-1994003185-A1 DISUBSTITUTED AND DEOXY DISUBSTITUTED DERIVATIVES OF α-D-MANNOFURANOSIDES AND β-L-GULOFURANOSIDES HAVING ANTI-INFLAMMATORY AND ANTI-PROLIFERATIVE ACTIVITY MEDICARB INC. (US) 1994-02-17 — — WO disclosed
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