SCHEMBL8807293

SCHEMBL8807293

COC(=O)N[C@@H](CNC1CCOC1O)CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 19/20 0.42
CAPNS1 P04632 6/20 0.35

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
SCHEMBL8810844 0.89 SMN1; SMN2 (0.39) CAPN1CAPNS1
SCHEMBL8809624 0.88 CTSL (0.40) CAPN1
SCHEMBL8406532 0.86 EPHX1 (0.38) CAPN1CAPNS1
SCHEMBL8807979 0.84 CTSK (0.43) CAPN1CAPNS1
SCHEMBL8811209 0.83 LMNA (0.39) CAPN1
SCHEMBL8810652 0.83 CAPN1 (0.48) CAPN1CAPNS1
SCHEMBL8408073 0.83 EPHX1 (0.37) CAPN1
SCHEMBL8407590 0.83 EPHX1 (0.37) CAPN1
SCHEMBL8407659 0.83 EPHX1 (0.37) CAPN1
SCHEMBL8807756 0.82 ACACB (0.36) CAPN1

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