SCHEMBL8406495

SCHEMBL8406495

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

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 3/20 0.51
CTSK P43235 13/20 0.47
CTSS P25774 6/20 0.47
CTSL P07711 6/20 0.47
CTSB P07858 2/20 0.47
PSMB1 P20618 1/20 0.46
PSMB5 P28074 1/20 0.46
PSMB2 P49721 1/20 0.46
CYP1A2 P05177 1/20 0.46
CAPNS1 P04632 1/20 0.43

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
SCHEMBL8811439 0.93 CAPN1 (0.44) CAPN1CTSKCTSSCTSLCTSB
SCHEMBL8808907 0.88 CAPN1 (0.43) CAPN1CTSKCTSSCTSLCTSB
SCHEMBL8404287 0.87 CAPN1 (0.51) CAPN1CTSKCTSSCTSLCTSB
SCHEMBL8406499 0.85 CTSK (0.62) CAPN1CTSKCTSSCTSLCTSB
SCHEMBL3577128 0.85 CTSK (0.62) CAPN1CTSKCTSSCTSLCTSB
SCHEMBL7514109 0.85 CTSK (0.62) CAPN1CTSKCTSSCTSLCTSB
SCHEMBL8807949 0.84 CAPN1 (0.42) CAPN1CAPNS1
SCHEMBL7525753 0.83 CTSK (0.61) CAPN1CTSKCTSSCTSLCTSB
SCHEMBL7522284 0.81 CPB1 (0.51) CAPN1CTSKCTSSCTSLCTSB
SCHEMBL8808948 0.81 CAPN1 (0.44) CAPN1CAPNS1

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-0925786-A1 REMEDIES FOR ISCHEMIC DISEASES MITSUBISHI CHEMICAL CORPORATION (JP) 1999-06-30 EP disclosed
EP-0810221-A1 OXYGEN-CONTAINING HETEROCYCLIC DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 1997-12-03 EP disclosed