SCHEMBL7433177

SCHEMBL7433177

C=CC(CC(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.53
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CTSL P07711 2/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
CAPN1 P07384 1/20 0.45
CYP2D6 P10635 1/20 0.42

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
SCHEMBL6786634 1.00 CTSK (0.53) CTSKCA1CA2CA7CTSL
SCHEMBL16564868 1.00 CTSK (0.53) CTSKCA1CA2CA7CTSL
SCHEMBL9644705 0.85 CTSK (0.62) CTSKCA1CA2CA7CTSL
SCHEMBL1781832 0.85 CTSK (0.62) CTSKCA1CA2CA7CTSL
SCHEMBL739719 0.85 CTSK (0.62) CTSKCA1CA2CA7CTSL
SCHEMBL6829984 0.85 CA1 (0.51) CTSKCA1CA2CA7CTSL
SCHEMBL6296540 0.84 CTSK (0.57) CTSKCA1CA2CA7CTSL
SCHEMBL6296542 0.84 CTSK (0.57) CTSKCA1CA2CA7CTSL
SCHEMBL7260243 0.84 CTSK (0.57) CTSKCA1CA2CA7CTSL
SCHEMBL7260242 0.84 CTSK (0.57) CTSKCA1CA2CA7CTSL

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
EP-3296295-A1 COMPOSITIONS AND METHODS FOR TREATING BETA-AMYLOID RELATED DISEASES American Life Science Pharmaceuticals, Inc. (US) 2018-03-21 EP disclosed
US-5346887-A Mixture of tripeptide renin inhibitor and steroid antiinflammatory agent ABBOTT LABORATORIES (US) 1994-09-13 US disclosed
US-5059589-A Glaucoma treatment ABBOTT LABORATORIES (US) 1991-10-22 US disclosed
EP-0441191-A2 Retroisosteric dipeptides, their preparation and use as renin inhibitors in pharmaceutical compositions BAYER AG (DE) 1991-08-14 EP disclosed
US-5036051-A Renin inhibitors ABBOTT LABORATORIES (US) 1991-07-30 US disclosed
EP-0258289-A4 PEPTIDE ANALOGS 1991-01-02 EP disclosed
US-4927807-A RENIN INHIBITING AMIDES ABBOTT LABORATORIES (US) 1990-05-22 US disclosed
US-4857507-A HYPOTENSIVE AGENT ABBOTT LABORATORIES (US) 1989-08-15 US disclosed
US-4826815-A HYPOTENSIVE ABBOTT LABORATORIES (US) 1989-05-02 US disclosed
EP-0311012-A2 Glaucoma treatment ABBOTT LABORATORIES (US) 1989-04-12 EP disclosed
EP-0258289-A1 PEPTIDE ANALOGS ABBOTT LABORATORIES (US) 1988-03-09 EP disclosed
WO-1987004349-A1 PEPTIDE ANALOGS DELLARIA JOSEPH 1987-07-30 WO disclosed
US-4645759-A HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1987-02-24 US disclosed
EP-0172347-A2 Renin inhibiting compounds ABBOTT LABORATORIES (US) 1986-02-26 EP disclosed