SCHEMBL7281111

SCHEMBL7281111

COCCOCO[C@H]([C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)[C@@H](O)CC#N

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.48
CTSS P25774 2/20 0.48
REN P00797 12/20 0.38
CTSD P07339 1/20 0.36
CTSE P14091 1/20 0.36
CACNA1B Q00975 1/20 0.34
GAA P10253 1/20 0.34
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSH P09668 1/20 0.33

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
SCHEMBL7281115 0.86 CTSK (0.48) CTSKCTSSRENCTSDCTSE
SCHEMBL7281024 0.86 CTSS (0.40) CTSKCTSSRENCTSDCTSE
SCHEMBL7280909 0.86 CTSS (0.40) CTSKCTSSRENCTSDCTSE
SCHEMBL10592277 0.85 CTSS (0.41) CTSKCTSSRENCTSDCTSE
SCHEMBL7299478 0.85 CTSS (0.41) CTSKCTSSRENCTSDCTSE
SCHEMBL7293402 0.85 CTSS (0.39) CTSKCTSSRENCTSDCTSE
SCHEMBL9831122 0.82 CTSK (0.61) CTSKCTSSRENCTSDCTSE
SCHEMBL7298823 0.82 CTSS (0.36) CTSKCTSSRENCTSDCTSE
SCHEMBL7281106 0.80 CTSK (0.48) CTSKCTSSRENCTSDCTSE
SCHEMBL7293382 0.80 REN (0.37) CTSKCTSSRENCTSDCTSE

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