SCHEMBL7274599

SCHEMBL7274599

CC(C)SC[C@H](O)[C@@H]1OC(=O)N[C@H]1CC1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSD P07339 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
SCHEMBL7274603 1.00 CTSD (0.33) CTSD
SCHEMBL9615179 0.83 CTSD (0.37) CTSD
SCHEMBL7266627 0.81 CTSD (0.33) CTSD
SCHEMBL7266630 0.81 CTSD (0.33) CTSD
SCHEMBL7315619 0.79
SCHEMBL7283590 0.77 CTSD (0.33) CTSD
SCHEMBL7280255 0.77 CTSD (0.33) CTSD
SCHEMBL10611170 0.72 CTSD (0.31) CTSD
SCHEMBL9832650 0.72 CTSD (0.31) CTSD
SCHEMBL7267634 0.71 HPGD (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4977277-A INTERMEDIATES FOR RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-12-11 US disclosed
US-4837204-A RENIN INHIBITORS; HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1989-06-06 US 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