SCHEMBL7280905

SCHEMBL7280905

CCOC(OC)O[C@H]([C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)[C@@H](O)CCN

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
REN P00797 17/20 0.38
CTSD P07339 1/20 0.38
CTSE P14091 1/20 0.38
AAK1 Q2M2I8 1/20 0.37

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
SCHEMBL7281017 1.00 CTSS (0.40) CTSSCTSKRENCTSDCTSE
SCHEMBL7286725 0.90 REN (0.42) CTSSCTSKRENCTSDCTSE
SCHEMBL7299470 0.89 CTSS (0.41) CTSSCTSKRENCTSDCTSE
SCHEMBL7281106 0.86 CTSK (0.48) CTSSCTSKRENCTSDCTSE
SCHEMBL7293395 0.85 CTSS (0.39) CTSSCTSKRENCTSDCTSE
SCHEMBL7280387 0.83 CTSS (0.39) CTSSCTSKRENCTSDCTSE
SCHEMBL7298818 0.83 CTSS (0.36) CTSSCTSKRENCTSDCTSE
SCHEMBL7281008 0.82 CTSS (0.40) CTSSCTSKRENCTSDCTSE
SCHEMBL7280900 0.82 CTSS (0.40) CTSSCTSKRENCTSDCTSE
SCHEMBL7437469 0.82 CTSS (0.50) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0342541-A2 Retroviral protease inhibitors ABBOTT LABORATORIES (US) 1989-11-23 EP disclosed
EP-0307837-A2 Renin-inhibiting peptidyl heterocycles ABBOTT LABORATORIES (US) 1989-03-22 EP disclosed