SCHEMBL8404295

SCHEMBL8404295

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

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 11/20 0.49
CAPNS1 P04632 1/20 0.47
CTSK P43235 5/20 0.38
CTSL P07711 2/20 0.37
CTSS P25774 2/20 0.37
CTSB P07858 1/20 0.37

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
SCHEMBL8404239 1.00 CAPN1 (0.49) CAPN1CAPNS1CTSKCTSLCTSS
SCHEMBL8408033 1.00 CAPN1 (0.49) CAPN1CAPNS1CTSKCTSLCTSS
SCHEMBL8404293 1.00 CAPN1 (0.49) CAPN1CAPNS1CTSKCTSLCTSS
SCHEMBL8408037 1.00 CAPN1 (0.49) CAPN1CAPNS1CTSKCTSLCTSS
SCHEMBL8404243 1.00 CAPN1 (0.49) CAPN1CAPNS1CTSKCTSLCTSS
SCHEMBL8407887 0.87 CAPN1 (0.51) CAPN1CAPNS1
SCHEMBL8407885 0.87 CAPN1 (0.51) CAPN1CAPNS1
SCHEMBL8408050 0.87 CAPN1 (0.51) CAPN1CAPNS1
SCHEMBL8408055 0.87 CAPN1 (0.51) CAPN1CAPNS1
SCHEMBL8403841 0.87 CAPN1 (0.51) 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