SCHEMBL8458792

SCHEMBL8458792

COc1ccc(C[C@H](C[C@H](O)[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.57
CACNA1B Q00975 2/20 0.49

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
SCHEMBL8462589 1.00 REN (0.57) RENCACNA1B
SCHEMBL9876205 0.91 REN (0.55) RENCACNA1B
SCHEMBL7431245 0.90 REN (0.57) REN
SCHEMBL7431241 0.90 REN (0.57) REN
SCHEMBL8460817 0.89 REN (0.59) REN
SCHEMBL8460143 0.89 REN (0.59) REN
SCHEMBL7433661 0.88 REN (0.55) REN
SCHEMBL7433655 0.88 REN (0.55) REN
SCHEMBL8458897 0.86 REN (0.45) RENCACNA1B
SCHEMBL8853149 0.86 REN (0.45) RENCACNA1B

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