SCHEMBL7280431

SCHEMBL7280431

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.41
CTSK P43235 2/20 0.41
AAK1 Q2M2I8 1/20 0.36
REN P00797 13/20 0.35
CTSD P07339 1/20 0.34
CTSE P14091 1/20 0.34
CACNA1B Q00975 1/20 0.33
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 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
SCHEMBL10592327 0.92 CTSS (0.40) CTSSCTSKAAK1RENCTSD
SCHEMBL7278174 0.88 CTSS (0.38) CTSSCTSKAAK1RENCTSD
SCHEMBL7358262 0.88 CTSS (0.38) CTSSCTSKAAK1RENCTSD
SCHEMBL7290446 0.84 REN (0.39) CTSSCTSKAAK1RENCTSD
SCHEMBL7326618 0.84 REN (0.43) CTSSCTSKAAK1REN
SCHEMBL7289842 0.84 CTSS (0.37) CTSSCTSKAAK1RENCTSD
SCHEMBL7299781 0.83 CTSS (0.45) CTSSCTSKAAK1RENCTSD
SCHEMBL7280957 0.81 CTSS (0.42) CTSSCTSKAAK1RENCTSD
SCHEMBL7280424 0.81 CTSS (0.42) CTSSCTSKAAK1RENCTSD
SCHEMBL7286725 0.80 REN (0.42) CTSSCTSKAAK1RENCTSD

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