SCHEMBL11213660

SCHEMBL11213660

O=C1CCCCCCCCCCOCCO1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.68
CA9 Q16790 1/20 0.68
ALDH1A1 P00352 3/20 0.46
LMNA P02545 3/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
GLS O94925 2/20 0.32
CRHBP P24387 2/20 0.31
CRHR2 Q13324 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 1/20 0.31
FKBP4 Q02790 3/20 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
SCHEMBL11666040 1.00 CA1 (0.68) CA1CA9ALDH1A1LMNATP53
SCHEMBL11220304 1.00 CA1 (0.68) CA1CA9ALDH1A1LMNATP53
Tetrahydrofuran SCHEMBL7762875 0.95 CA1 (0.76) CA1CA9ALDH1A1LMNATP53
SCHEMBL18695006 0.95 CA1 (0.67) CA1CA9ALDH1A1LMNATP53
SCHEMBL7105666 0.95 CA1 (0.67) CA1CA9ALDH1A1LMNATP53
SCHEMBL6056646 0.95 CA1 (0.67) CA1CA9ALDH1A1LMNATP53
SCHEMBL7602098 0.95 CA1 (0.67) CA1CA9ALDH1A1LMNATP53
SCHEMBL7106267 0.95 CA1 (0.67) CA1CA9ALDH1A1LMNATP53
Dioxane SCHEMBL28130980 0.93 CA1 (0.80) CA1CA9ALDH1A1LMNATP53
SCHEMBL24983738 0.93 CA1 (0.80) CA1CA9ALDH1A1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4366270-A POLYMERIZABLE CYCLIC ESTER CHEMISCHE WERKE HULS A.G. (DE) 1982-12-28 US disclosed