SCHEMBL8404227

SCHEMBL8404227

CC(=O)O[C@@H]1OCC[C@@H]1NC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 7/20 0.54
CAPNS1 P04632 4/20 0.53
LARS1 Q9P2J5 1/20 0.46
CASP1 P29466 6/20 0.44
CASP3 P42574 6/20 0.44
CASP6 P55212 5/20 0.44
CASP8 Q14790 5/20 0.44
CASP7 P55210 4/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CTSK P43235 1/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPY5R Q15761 1/20 0.41
F2 P00734 2/20 0.41

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
SCHEMBL8404230 1.00 CAPN1 (0.54) CAPN1CAPNS1LARS1CASP1CASP3
SCHEMBL8404242 0.90 CAPN1 (0.54) CAPN1CAPNS1LARS1KMT2AMEN1
SCHEMBL8404247 0.90 CAPN1 (0.54) CAPN1CAPNS1LARS1KMT2AMEN1
SCHEMBL8403869 0.88 CAPN1 (0.50) CAPN1CAPNS1KMT2AMEN1
SCHEMBL8403866 0.88 CAPN1 (0.50) CAPN1CAPNS1KMT2AMEN1
SCHEMBL8810081 0.87 CAPN1 (0.49) CAPN1CAPNS1KMT2AMEN1
SCHEMBL8810089 0.87 CAPN1 (0.49) CAPN1CAPNS1KMT2AMEN1
SCHEMBL8407935 0.87 CAPN1 (0.55) CAPN1CAPNS1LARS1
SCHEMBL8407939 0.87 CAPN1 (0.55) CAPN1CAPNS1LARS1
SCHEMBL8406511 0.86 CAPN1 (0.49) CAPN1CAPNS1KMT2AMEN1CTSK

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