SCHEMBL3396691

SCHEMBL3396691

CCC(C)C(NC(=O)CN)C(=O)NC(CC(C)C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
ENPEP Q07075 13/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
CTSD P07339 1/20 0.43
MAPT P10636 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
SCHEMBL3396696 1.00 ALDH1A1 (0.46) ALDH1A1ENPEPMEN1LMNAKMT2A
SCHEMBL32677554 0.92 ENPEP (0.40) ALDH1A1ENPEPMEN1LMNAKMT2A
SCHEMBL20769311 0.92 ENPEP (0.44) ALDH1A1ENPEP
SCHEMBL20769310 0.92 ENPEP (0.44) ALDH1A1ENPEP
SCHEMBL29582522 0.89 CTSD (0.45) ENPEPCTSD
SCHEMBL27772445 0.88 ALDH1A1 (0.49) ALDH1A1ENPEPMEN1LMNAKMT2A
SCHEMBL27772443 0.88 ALDH1A1 (0.49) ALDH1A1ENPEPMEN1LMNAKMT2A
SCHEMBL30051624 0.87 ALDH1A1 (0.50) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL31151823 0.87 GRIN2D (0.51) ENPEPCTSD
SCHEMBL15692392 0.86 ALDH1A1 (0.46) ALDH1A1ENPEPMEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2248821-B1 SUBSTRATE FOR ASSAYING -GLUCAN AND/OR ENDOTOXIN AND ASSAY METHOD WAKO PURE CHEM IND LTD (JP) 2015-01-28 EP disclosed
EP-2248821-A1 SUBSTRATE FOR ASSAYING -GLUCAN AND/OR ENDOTOXIN AND ASSAY METHOD Wako Pure Chemical Industries, Ltd. (JP) 2010-11-10 EP disclosed