SCHEMBL8807289

SCHEMBL8807289

COC(=O)N[C@@H](CC(C)C)C(=O)NC1CCOC1O

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 20/20 0.61
CAPNS1 P04632 7/20 0.48

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
SCHEMBL8807294 1.00 CAPN1 (0.61) CAPN1CAPNS1
SCHEMBL8810853 0.89 CAPN1 (0.57) CAPN1CAPNS1
SCHEMBL8810840 0.89 CAPN1 (0.57) CAPN1CAPNS1
SCHEMBL8809633 0.88 CAPN1 (0.56) CAPN1CAPNS1
SCHEMBL8809618 0.88 CAPN1 (0.56) CAPN1CAPNS1
SCHEMBL8406535 0.86 CAPN1 (0.55) CAPN1CAPNS1
SCHEMBL8406530 0.86 CAPN1 (0.55) CAPN1CAPNS1
SCHEMBL8407595 0.84 CAPN1 (0.52) CAPN1CAPNS1
SCHEMBL8408074 0.84 CAPN1 (0.52) CAPN1CAPNS1
SCHEMBL8807975 0.84 CTSK (0.56) 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