SCHEMBL9540747

SCHEMBL9540747

C=CCOC(O)CC.C=CCOCC(O)CO.C=CCOCC=C.C=CCOCC=C.C=CCOCCO.C=CCOCCOC(C)O.CCC(CO)(CO)CO

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32

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
SCHEMBL9540741 0.77 CA1 (0.38) CA1CA2CA7
SCHEMBL27733906 0.74 MEN1 (0.40)
SCHEMBL28571186 0.74 MEN1 (0.40)
SCHEMBL9336937 0.73 MEN1 (0.33)
SCHEMBL29085094 0.73 MEN1 (0.41)
SCHEMBL1785606 0.69 CA1 (0.41) CA1CA2CA7
Glycerin SCHEMBL28568864 0.68 HSD17B10 (0.35) CA1CA2CA7
SCHEMBL8940424 0.67 CA1 (0.39) CA1CA2CA7
SCHEMBL1845379 0.67 CA1 (0.53) CA1CA2CA7
SCHEMBL38754 0.67 MEN1 (0.38) CA1CA2CA7

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
WO-1993002146-A1 PAINT COMPOSITION J.C. HEMPEL'S SKIBSFARVE-FABRIK A/S (DK) 1993-02-04 WO disclosed