Sugi Predict

Sugi Predict / Compounds / SCHEMBL9751910

SCHEMBL9751910

SCHEMBL9751910

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 10/20 0.59
▸ PTH1R Q03431 2/20 0.50
▸ CTSD P07339 1/20 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
SCHEMBL9751908 1.00 BACE1 (0.59) BACE1PTH1RCTSD
SCHEMBL9751906 0.94 BACE1 (0.57) BACE1PTH1RCTSD
SCHEMBL9751911 0.94 BACE1 (0.57) BACE1PTH1RCTSD
SCHEMBL31174213 0.89 BACE1 (0.56) BACE1PTH1RCTSD
SCHEMBL30388814 0.86 BACE1 (0.63) BACE1PTH1R
SCHEMBL9751907 0.86 BACE1 (0.46) BACE1PTH1R
SCHEMBL9751909 0.86 BACE1 (0.46) BACE1PTH1R
SCHEMBL31137878 0.85 BACE1 (0.54) BACE1CTSD
SCHEMBL30839330 0.84 CCKAR (0.51) BACE1CTSD
SCHEMBL30839325 0.84 CCKAR (0.51) BACE1CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0425616-A4 USE OF ANIMAL-DERIVED ANTI-MICROBIAL PEPTIDES FOR CONTROL OF PLANT PATHOGENS — 1991-11-27 — — EP claimed
EP-0425616-A1 USE OF ANIMAL-DERIVED ANTI-MICROBIAL PEPTIDES FOR CONTROL OF PLANT PATHOGENS CALGENE, INC. (US) 1991-05-08 — — EP claimed
WO-1990011770-A1 USE OF ANIMAL-DERIVED ANTI-MICROBIAL PEPTIDES FOR CONTROL OF PLANT PATHOGENS CALGENE, INC. (US) 1990-10-18 — — WO claimed
Send feedback