SCHEMBL8808352

SCHEMBL8808352

Cc1cc(C)c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CCOC2O)c(C)c1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 20/20 0.62
CAPNS1 P04632 7/20 0.54

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
SCHEMBL8808370 1.00 CAPN1 (0.62) CAPN1CAPNS1
SCHEMBL8807870 0.89 CAPN1 (0.68) CAPN1CAPNS1
SCHEMBL8809943 0.85 CAPN1 (0.58) CAPN1CAPNS1
SCHEMBL8809931 0.85 CAPN1 (0.58) CAPN1CAPNS1
SCHEMBL8408034 0.84 CAPN1 (0.71) CAPN1CAPNS1
SCHEMBL8408028 0.84 CAPN1 (0.71) CAPN1CAPNS1
SCHEMBL8810401 0.83 CAPN1 (0.65) CAPN1CAPNS1
SCHEMBL8810412 0.83 CAPN1 (0.65) CAPN1CAPNS1
SCHEMBL8810040 0.82 CAPN1 (0.70) CAPN1CAPNS1
SCHEMBL8810031 0.82 CAPN1 (0.70) 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