SCHEMBL8811205

SCHEMBL8811205

CC(C)CC(NC(=O)OC[C@@H]1CCCO1)C(=O)N[C@H]1CCOC1O

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 18/20 0.52
CAPNS1 P04632 5/20 0.43
CTSK P43235 1/20 0.41
CNR2 P34972 1/20 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
SCHEMBL8811225 1.00 CAPN1 (0.52) CAPN1CAPNS1CTSKCNR2
SCHEMBL8811215 1.00 CAPN1 (0.52) CAPN1CAPNS1CTSKCNR2
SCHEMBL8807772 0.97 CAPN1 (0.51) CAPN1CAPNS1CTSK
SCHEMBL8807765 0.97 CAPN1 (0.51) CAPN1CAPNS1CTSK
SCHEMBL8807749 0.97 CAPN1 (0.51) CAPN1CAPNS1CTSK
SCHEMBL8807975 0.86 CTSK (0.56) CAPN1CAPNS1CTSK
SCHEMBL8807983 0.86 CTSK (0.56) CAPN1CAPNS1CTSK
SCHEMBL8810853 0.85 CAPN1 (0.57) CAPN1CAPNS1
SCHEMBL8810840 0.85 CAPN1 (0.57) CAPN1CAPNS1
SCHEMBL8807294 0.83 CAPN1 (0.61) 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