SCHEMBL8807983

SCHEMBL8807983

CC(C)CC(NC(=O)OCC1CCCCC1)C(=O)N[C@H]1CCOC1O

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.56
CAPN1 P07384 19/20 0.52
CAPNS1 P04632 6/20 0.43

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
SCHEMBL8807975 1.00 CTSK (0.56) CTSKCAPN1CAPNS1
SCHEMBL8807765 0.88 CAPN1 (0.51) CTSKCAPN1CAPNS1
SCHEMBL8807772 0.88 CAPN1 (0.51) CTSKCAPN1CAPNS1
SCHEMBL8807749 0.88 CAPN1 (0.51) CTSKCAPN1CAPNS1
SCHEMBL8811215 0.86 CAPN1 (0.52) CTSKCAPN1CAPNS1
SCHEMBL8811225 0.86 CAPN1 (0.52) CTSKCAPN1CAPNS1
SCHEMBL8811205 0.86 CAPN1 (0.52) CTSKCAPN1CAPNS1
SCHEMBL8810840 0.85 CAPN1 (0.57) CAPN1CAPNS1
SCHEMBL8810853 0.85 CAPN1 (0.57) CAPN1CAPNS1
SCHEMBL8406535 0.85 CAPN1 (0.55) 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 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