SCHEMBL9504643

SCHEMBL9504643

CC(C)C(N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)[C@H](O)CO

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.56

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
SCHEMBL9503562 0.92 REN (0.54) REN
SCHEMBL9692950 0.92 REN (0.58) REN
SCHEMBL7303652 0.88 REN (0.57) REN
SCHEMBL9505561 0.88 REN (0.57) REN
SCHEMBL9504686 0.88 REN (0.57) REN
SCHEMBL9694434 0.88 REN (0.57) REN
SCHEMBL7305156 0.86 REN (0.65) REN
SCHEMBL9694954 0.84 REN (0.46) REN
SCHEMBL8909157 0.82 REN (0.55) REN
SCHEMBL9800511 0.82 REN (0.55) REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0546115-A1 PEPTIDES CONTAINING AMINO-POLYOLS AS TRANSITION-STATE MIMICS THE UPJOHN COMPANY (US) 1993-06-16 EP disclosed