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Sugi Predict / Compounds / SCHEMBL9751906

SCHEMBL9751906

SCHEMBL9751906

CCC(C)C(NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(C)N)C(C)C)C(=O)NC(CCSC)C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.57
▸ PTH1R Q03431 2/20 0.49
▸ CTSD P07339 2/20 0.48

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
SCHEMBL9751911 1.00 BACE1 (0.57) BACE1PTH1RCTSD
SCHEMBL9751908 0.94 BACE1 (0.59) BACE1PTH1RCTSD
SCHEMBL9751910 0.94 BACE1 (0.59) BACE1PTH1RCTSD
SCHEMBL30437143 0.87 BACE1 (0.64) BACE1PTH1R
SCHEMBL31174213 0.86 BACE1 (0.56) BACE1PTH1RCTSD
SCHEMBL9751907 0.85 BACE1 (0.46) BACE1PTH1R
SCHEMBL9751909 0.85 BACE1 (0.46) BACE1PTH1R
SCHEMBL30512605 0.84 BACE1 (0.55) BACE1CTSD
SCHEMBL30495824 0.84 BACE1 (0.55) BACE1PTH1R
SCHEMBL26374203 0.83 RXFP1 (0.48) BACE1PTH1R

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
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