SCHEMBL13063710

SCHEMBL13063710

CC(=O)N[C@H](Cc1ccccc1)C(=O)NCCF

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.68
CTSK P43235 2/20 0.68
L3MBTL1 Q9Y468 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA3 P07451 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53
CACNA1C Q13936 1/20 0.53
SCN9A Q15858 1/20 0.53
CA9 Q16790 1/20 0.53
CA13 Q8N1Q1 1/20 0.53
CA14 Q9ULX7 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
PAM P19021 1/20 0.53
GNPAT O15228 1/20 0.53
GRIA1 P42261 1/20 0.53

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
SCHEMBL13063712 1.00 CTSS (0.68) CTSSCTSKL3MBTL1CA12CA1
SCHEMBL13063742 0.87 CTSS (0.70) CTSSCTSKL3MBTL1CA12CA1
SCHEMBL23933905 0.86 GRIA1 (0.70) CTSSCTSKPAMGNPATGRIA1
SCHEMBL23933904 0.86 GRIA1 (0.70) CTSSCTSKPAMGNPATGRIA1
SCHEMBL14567242 0.86 CTSS (0.68) CTSSCTSKL3MBTL1CA12CA1
SCHEMBL23933822 0.85 GRIA1 (0.69) CTSSCTSKGRIA1
SCHEMBL23933818 0.85 GRIA1 (0.69) CTSSCTSKGRIA1
SCHEMBL10608759 0.84 CTSS (0.67) CTSSCTSKL3MBTL1CA12CA1
SCHEMBL14113860 0.84 CTSS (0.74) CTSSCTSKL3MBTL1CA12CA1
SCHEMBL10800036 0.82 CTSS (0.76) CTSSCTSKCA12CA1CA2

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-2010133851-A1 PREPARATION OF LABELLED COMPOUNDS ISIS INNOVATION LIMITED (GB) 2010-11-25 WO disclosed