SCHEMBL8458000

SCHEMBL8458000

COc1ccc(C[C@H](C[C@H](O)[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)C(=O)O)c(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.50
CTSD P07339 1/20 0.42
CTSE P14091 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
SCHEMBL8460695 1.00 REN (0.50) RENCTSDCTSE
SCHEMBL8459146 0.86 REN (0.40) RENCTSD
SCHEMBL8852989 0.86 REN (0.40) RENCTSD
SCHEMBL7631860 0.83 KLK5 (0.52) REN
SCHEMBL7631855 0.83 KLK5 (0.52) REN
SCHEMBL8458792 0.82 REN (0.57) REN
SCHEMBL8462589 0.82 REN (0.57) REN
SCHEMBL7431245 0.80 REN (0.57) REN
SCHEMBL7431241 0.80 REN (0.57) REN
SCHEMBL8894934 0.80 REN (0.54) RENCTSDCTSE

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-5935976-A Antiviral ethers of aspartate protease substrate isosteres NOVARTIS CORPORATION (US) 1999-08-10 US disclosed
US-5807891-A RETROVIRUSES NOVARTIS AG (CH) 1998-09-15 US disclosed
US-5663200-A CARBAMOYL PEPTIDE DERIVATIVES AS VIRICIDES CIBA-GEIGY CORPORATION (US) 1997-09-02 US disclosed
EP-0708085-A2 Antiviral ethers of aspartate protease substrate isosteres CIBA-GEIGY AG (CH) 1996-04-24 EP disclosed