SCHEMBL8808396

SCHEMBL8808396

CCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1CCOC1O

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.54
CAPN1 P07384 2/20 0.53
CTSS P25774 4/20 0.50
CTSL P07711 2/20 0.50
CTSB P07858 2/20 0.48

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
SCHEMBL8808408 1.00 CTSK (0.54) CTSKCAPN1CTSSCTSLCTSB
SCHEMBL8810216 0.94 CTSL (0.58) CTSKCAPN1CTSSCTSLCTSB
SCHEMBL8810223 0.94 CTSL (0.58) CTSKCAPN1CTSSCTSLCTSB
SCHEMBL8812573 0.89 CTSK (0.60) CTSKCAPN1CTSSCTSLCTSB
SCHEMBL8812581 0.89 CTSK (0.60) CTSKCAPN1CTSSCTSLCTSB
SCHEMBL8404288 0.88 CAPN1 (0.68) CTSKCAPN1CTSSCTSLCTSB
SCHEMBL3591988 0.88 CAPN1 (0.68) CTSKCAPN1CTSSCTSLCTSB
SCHEMBL7518855 0.87 CAPN1 (0.52) CTSKCAPN1CTSSCTSLCTSB
SCHEMBL8810100 0.85 CAPN1 (0.51) CTSKCAPN1CTSSCTSLCTSB
SCHEMBL8810112 0.85 CAPN1 (0.51) CTSKCAPN1CTSSCTSLCTSB

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