SCHEMBL8459146

SCHEMBL8459146

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

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 16/20 0.40
AAK1 Q2M2I8 1/20 0.36
CTSD P07339 1/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL8852989 1.00 REN (0.40) RENAAK1CTSDCTSSCTSK
SCHEMBL8458000 0.86 REN (0.50) RENCTSD
SCHEMBL8460695 0.86 REN (0.50) RENCTSD
SCHEMBL7633741 0.85 KLK5 (0.41) CTSSCTSK
SCHEMBL7633738 0.85 KLK5 (0.41) CTSSCTSK
SCHEMBL8853149 0.84 REN (0.45) REN
SCHEMBL8458897 0.84 REN (0.45) REN
SCHEMBL7436803 0.82 REN (0.45) RENCTSSCTSK
SCHEMBL7436801 0.82 REN (0.45) RENCTSSCTSK
SCHEMBL8459147 0.81 AAK1 (0.39) RENAAK1CTSDCTSSCTSK

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