SCHEMBL7290446

SCHEMBL7290446

CCOC(OC)OC([C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)[C@@H]1CN(OC)C(=O)O1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 15/20 0.39
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
AAK1 Q2M2I8 1/20 0.34
CTSD P07339 1/20 0.32
CTSE P14091 1/20 0.32
NAAA Q02083 2/20 0.32

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
SCHEMBL7326618 0.90 REN (0.43) RENCTSSCTSKAAK1
SCHEMBL7289842 0.85 CTSS (0.37) RENCTSSCTSKAAK1CTSD
SCHEMBL7280431 0.84 CTSS (0.41) RENCTSSCTSKAAK1CTSD
SCHEMBL7278174 0.84 CTSS (0.38) RENCTSSCTSKAAK1CTSD
SCHEMBL7358262 0.84 CTSS (0.38) RENCTSSCTSKAAK1CTSD
SCHEMBL10592327 0.82 CTSS (0.40) RENCTSSCTSKAAK1CTSD
SCHEMBL7278101 0.79 CTSS (0.38) RENCTSSCTSKAAK1CTSD
SCHEMBL10590662 0.77 CTSS (0.37) RENCTSSCTSKAAK1CTSD
SCHEMBL7278296 0.75 CTSS (0.36) RENCTSSCTSKAAK1CTSD
SCHEMBL7280957 0.74 CTSS (0.42) RENCTSSCTSKAAK1CTSD

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5268374-A Containing both amide and hydroxy groups ABBOTT LABORATORIES (US) 1993-12-07 US disclosed
EP-0415981-A4 RETROVIRAL PROTEASE INHIBITORS 1991-10-09 EP disclosed
EP-0437508-A1 NON-PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1991-07-24 EP disclosed
EP-0415981-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed
US-4994477-A Hypotensive agents ABBOTT LABORATORIES (US) 1991-02-19 US disclosed
WO-1990003971-A1 NON-PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-04-19 WO disclosed
EP-0342541-A2 Retroviral protease inhibitors ABBOTT LABORATORIES (US) 1989-11-23 EP disclosed
WO-1989010752-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed
EP-0307837-A2 Renin-inhibiting peptidyl heterocycles ABBOTT LABORATORIES (US) 1989-03-22 EP disclosed