SCHEMBL7280424

SCHEMBL7280424

COC(C)OCO[C@@H](C1CO1)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.42
CTSK P43235 2/20 0.42
REN P00797 14/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
CTSD P07339 1/20 0.35
CTSE P14091 1/20 0.35
CACNA1B Q00975 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
SCHEMBL7299781 0.90 CTSS (0.45) CTSSCTSKRENCA1CA2
SCHEMBL7280431 0.81 CTSS (0.41) CTSSCTSKRENCA1CA2
SCHEMBL7280952 0.81 CTSS (0.43) CTSSCTSKRENCA1CA2
SCHEMBL10407971 0.80 CTSS (0.46) CTSSCTSKRENCA1CA2
SCHEMBL10448350 0.80 CTSS (0.46) CTSSCTSKRENCA1CA2
SCHEMBL7305026 0.80 CTSS (0.46) CTSSCTSKRENCA1CA2
SCHEMBL7286723 0.80 REN (0.44) CTSSCTSKRENCA1CA2
SCHEMBL7264769 0.78 CTSS (0.50) CTSSCTSKRENCA1CA2
SCHEMBL10407740 0.78 CTSS (0.50) CTSSCTSKRENCA1CA2
SCHEMBL7281008 0.78 CTSS (0.40) CTSSCTSKRENAAK1CTSD

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 14 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-5164388-A Hypotensive agents, treatment of congestive heart failure ABBOTT LABORATORIES (US) 1992-11-17 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-4927807-A RENIN INHIBITING AMIDES ABBOTT LABORATORIES (US) 1990-05-22 US disclosed
EP-0365992-A1 Heterocyclic peptide renin inhibitors ABBOTT LABORATORIES (US) 1990-05-02 EP 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
WO-1989010751-A1 FUNCTIONALIZED PEPTIDYL AMINODIOLS AND -TRIOLS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed
EP-0341602-A2 Renin-inhibiting functionalized peptidyl aminodiols and - triols ABBOTT LABORATORIES (US) 1989-11-15 EP disclosed
EP-0311012-A2 Glaucoma treatment ABBOTT LABORATORIES (US) 1989-04-12 EP disclosed
EP-0307837-A2 Renin-inhibiting peptidyl heterocycles ABBOTT LABORATORIES (US) 1989-03-22 EP disclosed