SCHEMBL7437469

SCHEMBL7437469

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

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.50
CTSK P43235 2/20 0.50
REN P00797 16/20 0.46
CTSD P07339 1/20 0.43
CTSE P14091 1/20 0.43
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL7267275 0.90 CTSS (0.52) CTSSCTSKRENCTSDCTSE
SCHEMBL10520875 0.90 CTSS (0.52) CTSSCTSKRENCTSDCTSE
SCHEMBL7430523 0.90 CTSS (0.52) CTSSCTSKRENCTSDCTSE
SCHEMBL9833907 0.89 CTSS (0.51) CTSSCTSKRENCTSDCTSE
SCHEMBL7284721 0.88 CTSS (0.55) CTSSCTSKRENCTSDCTSE
SCHEMBL7274022 0.88 CTSS (0.50) CTSSCTSKRENCTSDCTSE
SCHEMBL7440374 0.88 CTSS (0.50) CTSSCTSKRENCTSDCTSE
SCHEMBL9358862 0.88 CTSS (0.50) CTSSCTSKRENCTSDCTSE
SCHEMBL7274017 0.88 CTSS (0.50) CTSSCTSKRENCTSDCTSE
SCHEMBL7272375 0.86 CTSS (0.53) 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 9 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-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
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
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