Sugi Predict

Sugi Predict / Compounds / SCHEMBL9848637

SCHEMBL9848637

SCHEMBL9848637

CC(C)[C@H](NC(=O)[C@@H](N)Cc1cc(I)c(O)c(I)c1)C(=O)N[C@H](C(=O)N(C(=O)[C@@H](N)CC(=O)N(C)C)[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)(C)C)C(=O)O)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 3/20 0.36
▸ SIRT5 Q9NXA8 1/20 0.33
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ LMNA P02545 2/20 0.32
▸ TTR P02766 2/20 0.32
▸ ADORA3 P0DMS8 2/20 0.32
▸ THRB P10828 2/20 0.32
▸ PDE4D Q08499 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ NR3C1 P04150 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ TBXA2R P21731 1/20 0.32
▸ NTSR1 P30989 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32

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
SCHEMBL9848677 0.90 OPRD1 (0.45) OPRD1BACE1BACE2
SCHEMBL9848626 0.84 MME (0.39) BACE1BACE2FNTAFNTB
SCHEMBL9848643 0.81 BACE1 (0.42) OPRD1BACE1BACE2
SCHEMBL9848661 0.81 FNTA (0.42) OPRD1BACE1BACE2FNTAFNTB
SCHEMBL9848660 0.81 OPRD1 (0.45) OPRD1BACE1BACE2
SCHEMBL9848662 0.74 MME (0.39) BACE1BACE2
SCHEMBL9848704 0.71 OPRD1 (0.60) OPRD1BACE1BACE2
SCHEMBL9848669 0.71 BACE1 (0.53) OPRD1BACE1BACE2
SCHEMBL9848680 0.69 OPRD1 (0.55) OPRD1BACE1BACE2
SCHEMBL30890858 0.65 BACE1 (0.56) OPRD1BACE1BACE2FNTAFNTB

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-0438873-A1 Inhibitor of ribonucleotide reductase of herpes viruses MERCK & CO. INC. (US) 1991-07-31 — — EP disclosed