SCHEMBL8408050

SCHEMBL8408050

CCCCCCCCCCCCCCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCO[C@H]1OC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 11/20 0.51
CAPNS1 P04632 3/20 0.50
CASP1 P29466 4/20 0.41
CASP3 P42574 4/20 0.41
CASP7 P55210 4/20 0.41
CASP6 P55212 3/20 0.41
CASP8 Q14790 2/20 0.39
PLA2G10 O15496 2/20 0.38
MEN1 O00255 1/20 0.38
FAAH O00519 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL8408055 1.00 CAPN1 (0.51) CAPN1CAPNS1CASP1CASP3CASP7
SCHEMBL8403841 1.00 CAPN1 (0.51) CAPN1CAPNS1CASP1CASP3CASP7
SCHEMBL8407885 1.00 CAPN1 (0.51) CAPN1CAPNS1CASP1CASP3CASP7
SCHEMBL8403838 1.00 CAPN1 (0.51) CAPN1CAPNS1CASP1CASP3CASP7
SCHEMBL8407887 1.00 CAPN1 (0.51) CAPN1CAPNS1CASP1CASP3CASP7
SCHEMBL8404243 0.87 CAPN1 (0.49) CAPN1CAPNS1
SCHEMBL8408037 0.87 CAPN1 (0.49) CAPN1CAPNS1
SCHEMBL8404295 0.87 CAPN1 (0.49) CAPN1CAPNS1
SCHEMBL8404239 0.87 CAPN1 (0.49) CAPN1CAPNS1
SCHEMBL8404293 0.87 CAPN1 (0.49) 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 claimed
EP-0925786-A1 REMEDIES FOR ISCHEMIC DISEASES MITSUBISHI CHEMICAL CORPORATION (JP) 1999-06-30 EP disclosed