SCHEMBL7294880

SCHEMBL7294880

COCO[C@H]([C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)[C@@H](O)CN

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.44
CTSK P43235 2/20 0.44
REN P00797 13/20 0.42
CTSD P07339 1/20 0.39
CTSE P14091 1/20 0.39
AAK1 Q2M2I8 1/20 0.38
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
GAA P10253 1/20 0.36
EPHX1 P07099 1/20 0.36

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
SCHEMBL7291461 0.88 CTSS (0.43) CTSSCTSKRENCTSDCTSE
SCHEMBL7267275 0.85 CTSS (0.52) CTSSCTSKRENCTSDCTSE
SCHEMBL10520875 0.85 CTSS (0.52) CTSSCTSKRENCTSDCTSE
SCHEMBL7293430 0.85 CTSS (0.45) CTSSCTSKRENCTSDCTSE
SCHEMBL10536679 0.85 CTSS (0.45) CTSSCTSKRENCTSDCTSE
SCHEMBL7280909 0.83 CTSS (0.40) CTSSCTSKRENCTSDCTSE
SCHEMBL7281024 0.83 CTSS (0.40) CTSSCTSKRENCTSDCTSE
SCHEMBL7265165 0.83 CTSS (0.50) CTSSCTSKRENCTSDCTSE
SCHEMBL7281008 0.82 CTSS (0.40) CTSSCTSKRENCTSDCTSE
SCHEMBL7280900 0.82 CTSS (0.40) CTSSCTSKRENCTSDCTSE

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-0341602-A2 Renin-inhibiting functionalized peptidyl aminodiols and - triols ABBOTT LABORATORIES (US) 1989-11-15 EP disclosed