SCHEMBL28051124

SCHEMBL28051124

COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 11/20 0.57
REN P00797 1/20 0.55
CAPN1 P07384 2/20 0.54
ELANE P08246 3/20 0.52
MALT1 Q9UDY8 1/20 0.52
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
CTSK P43235 1/20 0.51

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
SCHEMBL2391834 0.91 MALT1 (0.56) CMA1RENELANEMALT1CTSL
SCHEMBL20335531 0.89 MALT1 (0.55) CMA1RENCAPN1ELANEMALT1
SCHEMBL20335533 0.89 MALT1 (0.55) CMA1RENCAPN1ELANEMALT1
SCHEMBL20335530 0.89 MALT1 (0.55) CMA1RENCAPN1ELANEMALT1
SCHEMBL20353398 0.89 MALT1 (0.54) CMA1RENELANEMALT1CTSL
SCHEMBL30688542 0.88 CMA1 (0.68) CMA1RENELANE
SCHEMBL12257217 0.87 MALT1 (0.52) CMA1RENELANEMALT1CTSL
SCHEMBL11781980 0.86 CTRB1 (0.63) CTSLCTSK
SCHEMBL7322912 0.86 FKBP1A (0.52) CMA1RENCAPN1CTSLCTSK
SCHEMBL7322906 0.86 FKBP1A (0.52) CMA1RENCAPN1CTSLCTSK

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
CN-105218632-A As peptide or plan peptide, the Preparation Method And The Use of transglutaminase inhibitor ZEDIRA GMBH 2016-01-06 CN disclosed