SCHEMBL8807944

SCHEMBL8807944

CC(=O)O[C@@H]1OCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 5/20 0.54
CAPNS1 P04632 1/20 0.52
CTSK P43235 7/20 0.45
CTSL P07711 2/20 0.45
CTSS P25774 2/20 0.45
CTSB P07858 1/20 0.45
PTPN1 P18031 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
SCHEMBL4560987 0.88 CAPN1 (0.58) CAPN1CAPNS1
SCHEMBL3587893 0.87 CTSK (0.51) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL8807949 0.85 CAPN1 (0.42) CAPN1CAPNS1PTPN1
SCHEMBL3588992 0.84 CASP1 (0.46) CAPN1CTSKCTSLCTSSPTPN1
SCHEMBL8406499 0.84 CTSK (0.62) CAPN1CAPNS1CTSKCTSLCTSS
SCHEMBL3577128 0.84 CTSK (0.62) CAPN1CAPNS1CTSKCTSLCTSS
SCHEMBL7514109 0.84 CTSK (0.62) CAPN1CAPNS1CTSKCTSLCTSS
SCHEMBL8808894 0.83 CAPN1 (0.56) CAPN1CAPNS1CTSKCTSLCTSS
SCHEMBL8808915 0.83 CAPN1 (0.56) CAPN1CAPNS1CTSKCTSLCTSS
SCHEMBL7525753 0.82 CTSK (0.61) CAPN1CAPNS1CTSKCTSLCTSS

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-0810221-A1 OXYGEN-CONTAINING HETEROCYCLIC DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 1997-12-03 EP disclosed