SCHEMBL8813422

SCHEMBL8813422

CCC(=O)O[C@@H]1OCC[C@@H]1NC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 9/20 0.46
CAPNS1 P04632 1/20 0.45
CTSL P07711 6/20 0.44
CTSS P25774 6/20 0.44
CTSK P43235 6/20 0.44
CTSB P07858 2/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL8813441 1.00 CAPN1 (0.46) CAPN1CAPNS1CTSLCTSSCTSK
SCHEMBL8404247 0.91 CAPN1 (0.54) CAPN1CAPNS1CTSLCTSSCTSK
SCHEMBL8404242 0.91 CAPN1 (0.54) CAPN1CAPNS1CTSLCTSSCTSK
SCHEMBL8811330 0.91 CAPN1 (0.47) CAPN1CAPNS1CTSLCTSSCTSK
SCHEMBL8811341 0.91 CAPN1 (0.47) CAPN1CAPNS1CTSLCTSSCTSK
SCHEMBL8808800 0.89 CAPN1 (0.48) CAPN1CAPNS1CTSLCTSSCTSK
SCHEMBL8808810 0.89 CAPN1 (0.48) CAPN1CAPNS1CTSLCTSSCTSK
SCHEMBL8406502 0.89 CAPN1 (0.45) CAPN1CAPNS1CTSLCTSSCTSK
SCHEMBL8406509 0.89 CAPN1 (0.45) CAPN1CAPNS1CTSLCTSSCTSK
SCHEMBL8813432 0.86 CAPN1 (0.38) CAPN1CAPNS1CTSLCTSSCTSK

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