SCHEMBL7281024

SCHEMBL7281024

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
REN P00797 14/20 0.39
CTSD P07339 1/20 0.36
CTSE P14091 1/20 0.36
AAK1 Q2M2I8 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CACNA1B Q00975 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL7280909 1.00 CTSS (0.40) CTSSCTSKRENCTSDCTSE
SCHEMBL10592277 0.89 CTSS (0.41) CTSSCTSKRENCTSDCTSE
SCHEMBL7299478 0.89 CTSS (0.41) CTSSCTSKRENCTSDCTSE
SCHEMBL7281111 0.86 CTSK (0.48) CTSSCTSKRENCTSDCTSE
SCHEMBL7280900 0.86 CTSS (0.40) CTSSCTSKRENCTSDCTSE
SCHEMBL7281008 0.86 CTSS (0.40) CTSSCTSKRENCTSDCTSE
SCHEMBL7293402 0.85 CTSS (0.39) CTSSCTSKRENCTSDCTSE
SCHEMBL7294880 0.83 CTSS (0.44) CTSSCTSKRENCTSDCTSE
SCHEMBL7298823 0.83 CTSS (0.36) CTSSCTSKRENCTSDCTSE
SCHEMBL7280391 0.82 CTSS (0.39) 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