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Sugi Predict / Compounds / SCHEMBL9503591

SCHEMBL9503591

SCHEMBL9503591

CC(C)(C)OC(=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)C(C)(C)O

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 20/20 0.57
▸ PGC P20142 1/20 0.54

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
SCHEMBL9505561 0.91 REN (0.57) RENPGC
SCHEMBL9504686 0.91 REN (0.57) RENPGC
SCHEMBL9694434 0.91 REN (0.57) RENPGC
SCHEMBL7386767 0.90 REN (0.57) RENPGC
SCHEMBL7271925 0.90 REN (0.57) RENPGC
SCHEMBL9526718 0.89 REN (0.56) RENPGC
SCHEMBL10540148 0.88 REN (0.60) RENPGC
SCHEMBL9183934 0.86 REN (0.56) RENPGC
SCHEMBL9725846 0.85 REN (0.53) RENPGC
SCHEMBL7314662 0.85 REN (0.55) RENPGC

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
EP-0546115-A1 PEPTIDES CONTAINING AMINO-POLYOLS AS TRANSITION-STATE MIMICS THE UPJOHN COMPANY (US) 1993-06-16 — — EP claimed
WO-1992003472-A1 PEPTIDES CONTAINING AMINO-POLYOLS AS TRANSITION-STATE MIMICS THE UPJOHN COMPANY (US) 1992-03-05 — — WO claimed
EP-0546115-A1 PEPTIDES CONTAINING AMINO-POLYOLS AS TRANSITION-STATE MIMICS THE UPJOHN COMPANY (US) 1993-06-16 — — EP disclosed
WO-1992003472-A1 PEPTIDES CONTAINING AMINO-POLYOLS AS TRANSITION-STATE MIMICS THE UPJOHN COMPANY (US) 1992-03-05 — — WO disclosed