SCHEMBL9451653

SCHEMBL9451653

CCC(C)C(NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)[C@@H](N)C(C)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ENPEP Q07075 15/20 0.52
CTSC P53634 1/20 0.45
SRC P12931 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL9451658 1.00 ENPEP (0.52) ENPEPCTSCSRCALDH1A1
SCHEMBL29771460 0.95 ENPEP (0.48) ENPEPCTSCSRC
SCHEMBL8772357 0.91 ENPEP (0.52) ENPEP
SCHEMBL8772363 0.91 ENPEP (0.52) ENPEP
SCHEMBL8772237 0.90 ENPEP (0.51) ENPEP
SCHEMBL9451605 0.90 ENPEP (0.54) ENPEP
SCHEMBL8772245 0.90 ENPEP (0.51) ENPEP
SCHEMBL9451596 0.90 ENPEP (0.54) ENPEP
SCHEMBL29833171 0.90 ENPEP (0.49) ENPEPCTSC
SCHEMBL31031485 0.89 CTSC (0.49) ENPEPCTSC

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-0544781-A1 NEW PEPTIDES AND THEIR USE. MALVAC FOUNDATION (SE) 1993-06-09 EP disclosed