SCHEMBL9846502

SCHEMBL9846502

CC(CO)C(CO)NC(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
CA7 P43166 2/20 0.59
CTSK P43235 9/20 0.45
CYP2D6 P10635 1/20 0.45
CTSS P25774 5/20 0.43
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL9846517 1.00 CA1 (0.59) CA1CA2CA7CTSKCYP2D6
SCHEMBL9846504 1.00 CA1 (0.59) CA1CA2CA7CTSKCYP2D6
SCHEMBL8435620 1.00 CA1 (0.59) CA1CA2CA7CTSKCYP2D6
SCHEMBL7295817 0.89 CA2 (0.56) CA1CA2CA7CTSKCYP2D6
SCHEMBL7295814 0.89 CA2 (0.56) CA1CA2CA7CTSKCYP2D6
SCHEMBL6546238 0.89 CA2 (0.56) CA1CA2CA7CTSKCYP2D6
SCHEMBL1414602 0.87 CA1 (0.71) CA1CA2CA7CTSKCYP2D6
SCHEMBL1809665 0.87 CA1 (0.71) CA1CA2CA7CTSKCYP2D6
SCHEMBL1134642 0.87 CA1 (0.71) CA1CA2CA7CTSKCYP2D6
SCHEMBL16690456 0.86 CA1 (0.53) CA1CA2CA7CTSKCYP2D6

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-0443498-A1 Isoindoline derivatives KYORIN PHARMACEUTICAL CO., LTD. (JP) 1991-08-28 EP disclosed