SCHEMBL7264769

SCHEMBL7264769

CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C1CO1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.50
CTSK P43235 2/20 0.50
REN P00797 11/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CTSD P07339 1/20 0.39
CTSE P14091 1/20 0.39
GAA P10253 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
EPHX1 P07099 1/20 0.38

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
SCHEMBL10407740 1.00 CTSS (0.50) CTSSCTSKRENCA1CA2
SCHEMBL7297791 0.86 CTSS (0.47) CTSSCTSKRENCA1CA2
SCHEMBL9848334 0.84 CTSS (0.56) CTSSCTSKRENCA1CA2
SCHEMBL6448979 0.84 CTSS (0.56) CTSSCTSKRENCA1CA2
SCHEMBL8536013 0.84 CTSS (0.56) CTSSCTSKRENCA1CA2
SCHEMBL4974388 0.83 CTSK (0.53) CTSSCTSKRENCA1CA2
SCHEMBL7332961 0.83 CTSK (0.53) CTSSCTSKRENCA1CA2
SCHEMBL7375658 0.83 CTSK (0.53) CTSSCTSKRENCA1CA2
SCHEMBL28848451 0.83 CTSK (0.53) CTSSCTSKRENCA1CA2
SCHEMBL1867025 0.83 CTSK (0.53) CTSSCTSKRENCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5346887-A Mixture of tripeptide renin inhibitor and steroid antiinflammatory agent ABBOTT LABORATORIES (US) 1994-09-13 US disclosed
US-5268374-A Containing both amide and hydroxy groups ABBOTT LABORATORIES (US) 1993-12-07 US disclosed
US-5059589-A Glaucoma treatment ABBOTT LABORATORIES (US) 1991-10-22 US disclosed
US-5036051-A Renin inhibitors ABBOTT LABORATORIES (US) 1991-07-30 US disclosed
US-4994477-A Hypotensive agents ABBOTT LABORATORIES (US) 1991-02-19 US disclosed
US-4977277-A INTERMEDIATES FOR RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-12-11 US disclosed
US-4927807-A RENIN INHIBITING AMIDES ABBOTT LABORATORIES (US) 1990-05-22 US disclosed
EP-0364804-A1 Non-peptide renin inhibitors ABBOTT LABORATORIES (US) 1990-04-25 EP disclosed
EP-0342541-A2 Retroviral protease inhibitors ABBOTT LABORATORIES (US) 1989-11-23 EP disclosed
US-4837204-A RENIN INHIBITORS; HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1989-06-06 US disclosed
EP-0311012-A2 Glaucoma treatment ABBOTT LABORATORIES (US) 1989-04-12 EP disclosed
EP-0230266-A2 Functionalized peptidyl aminodiols and -triols ABBOTT LABORATORIES (US) 1987-07-29 EP disclosed
EP-0189203-A2 Peptidylaminodiols ABBOTT LABORATORIES (US) 1986-07-30 EP disclosed