SCHEMBL23735563

SCHEMBL23735563

CC(C)(CCCOC(=O)OCCCCCCNC(=O)OC(C)(C)C)CCCOC(=O)OCCCC(C)(C)CCCOC(=O)OCCCCCCNC(=O)OC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.62
CA1 P00915 5/20 0.62
CA2 P00918 5/20 0.62
CA9 Q16790 5/20 0.62
TDP1 Q9NUW8 1/20 0.58
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
ACHE P22303 11/20 0.45

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
SCHEMBL5190585 0.92 CA12 (0.70) CA12CA1CA2CA9TDP1
SCHEMBL6937740 0.86 CA12 (0.62) CA12CA1CA2CA9TDP1
SCHEMBL5190681 0.85 CA12 (0.62) CA12CA1CA2CA9TDP1
SCHEMBL1063112 0.85 CA12 (0.62) CA12CA1CA2CA9TDP1
SCHEMBL30206955 0.82 TDP1 (0.55) CA12CA1CA2CA9TDP1
SCHEMBL14978155 0.82 TDP1 (0.61) CA12CA1CA2CA9TDP1
SCHEMBL5190573 0.81 CA12 (0.68) CA12CA1CA2CA9TDP1
SCHEMBL4539930 0.81 CA12 (0.68) CA12CA1CA2CA9TDP1
SCHEMBL19928735 0.81 TDP1 (0.69) CA12CA1CA2CA9TDP1
SCHEMBL137629 0.80 TDP1 (0.85) CA12CA1CA2CA9TDP1

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
EP-3157978-B1 STRICTLY SEGMENTED THERMOPLASTIC ELASTOMERS AS BIODEGRADABLE BIOMATERIALS SYMO CHEM B V (NL) 2021-08-11 EP disclosed